
 CV-6209

104103  0  0  0  0  0  0  0  0999 V2000
    1.6583   -0.6230    0.2779 C   0  0  0  0  0
    3.1313   -0.3204    0.4997 C   0  0  0  0  0
    3.4795    1.1075    0.0793 C   0  0  0  0  0
    4.9684    1.3953    0.2760 C   0  0  0  0  0
    5.3212    2.8268   -0.1327 C   0  0  0  0  0
    6.8193    3.0898    0.0242 C   0  0  0  0  0
    7.1884    4.5179   -0.3828 C   0  0  0  0  0
    8.6990    4.7360   -0.2929 C   0  0  0  0  0
    9.0969    6.1573   -0.6964 C   0  0  0  0  0
   10.6183    6.3103   -0.6961 C   0  0  0  0  0
   11.0570    7.7312   -1.0559 C   0  0  0  0  0
   12.5818    7.8117   -1.1477 C   0  0  0  0  0
   13.0751    9.2405   -1.3815 C   0  0  0  0  0
   14.5956    9.2608   -1.5518 C   0  0  0  0  0
   15.1545   10.6840   -1.5843 C   0  0  0  0  0
   16.6634   10.6674   -1.8383 C   0  0  0  0  0
   17.2905   12.0492   -1.6527 C   0  0  0  0  0
   18.7736   12.0292   -2.0218 C   0  0  0  0  0
   19.4597   13.2286   -1.5847 N   0  0  0  0  0
   19.9375   13.4478   -0.3265 C   0  0  0  0  0
   20.4801   14.4900    0.0004 O   0  0  0  0  0
   19.7464   12.3792    0.4815 O   0  0  0  0  0
   20.1607   12.5006    1.8468 C   0  0  0  0  0
   21.0011   11.2698    2.2083 C   0  0  0  0  0
   22.4249   11.4201    1.6382 C   0  0  0  0  0
   23.1879   10.2533    2.0207 O   0  0  0  0  0
   24.2848   10.4532    2.7882 C   0  0  0  0  0
   24.7954   11.5525    2.9829 O   0  0  0  0  0
   24.7336    9.3038    3.4380 N   0  0  0  0  0
   25.5627    9.5250    4.6259 C   0  0  0  0  0
   24.7528    9.5943    5.9240 C   0  0  0  0  0
   24.4512    8.3707    6.5693 C   0  0  0  0  0
   23.6887    8.3269    7.7268 C   0  0  0  0  0
   23.2200    9.5095    8.2582 C   0  0  0  0  0
   23.5411   10.7040    7.6350 C   0  0  0  0  0
   24.2943   10.7546    6.5013 N   0  0  0  0  0
   24.6257   12.1208    6.0010 C   0  0  0  0  0
   23.4119   12.7590    5.3582 C   0  0  0  0  0
   24.4985    7.9761    3.0713 C   0  0  0  0  0
   24.8168    7.0417    3.8117 O   0  0  0  0  0
   23.8510    7.6783    1.7430 C   0  0  0  0  0
   21.0959   11.1161    3.6386 O   0  0  0  0  0
   19.9842   10.4086    4.1826 C   0  0  0  0  0
   -0.4055    0.7090    4.1041 Cl  0  0  0  0  0
    1.4267   -1.6412    0.6060 H   0  0  0  0  0
    1.3964   -0.5395   -0.7817 H   0  0  0  0  0
    1.0262    0.0690    0.8423 H   0  0  0  0  0
    3.7344   -1.0358   -0.0715 H   0  0  0  0  0
    3.3735   -0.4650    1.5590 H   0  0  0  0  0
    2.8857    1.8186    0.6664 H   0  0  0  0  0
    3.2133    1.2560   -0.9743 H   0  0  0  0  0
    5.5585    0.6874   -0.3189 H   0  0  0  0  0
    5.2386    1.2372    1.3272 H   0  0  0  0  0
    4.7547    3.5363    0.4825 H   0  0  0  0  0
    5.0269    2.9947   -1.1758 H   0  0  0  0  0
    7.3798    2.3765   -0.5925 H   0  0  0  0  0
    7.1166    2.9179    1.0659 H   0  0  0  0  0
    6.6700    5.2330    0.2671 H   0  0  0  0  0
    6.8515    4.7077   -1.4091 H   0  0  0  0  0
    9.2081    4.0148   -0.9443 H   0  0  0  0  0
    9.0389    4.5392    0.7314 H   0  0  0  0  0
    8.6482    6.8774   -0.0018 H   0  0  0  0  0
    8.7068    6.3825   -1.6962 H   0  0  0  0  0
   11.0530    5.6007   -1.4110 H   0  0  0  0  0
   11.0126    6.0498    0.2941 H   0  0  0  0  0
   10.6889    8.4321   -0.2972 H   0  0  0  0  0
   10.6163    8.0277   -2.0152 H   0  0  0  0  0
   12.9296    7.1639   -1.9619 H   0  0  0  0  0
   13.0248    7.4268   -0.2207 H   0  0  0  0  0
   12.7843    9.8698   -0.5319 H   0  0  0  0  0
   12.6003    9.6610   -2.2761 H   0  0  0  0  0
   14.8630    8.7355   -2.4771 H   0  0  0  0  0
   15.0649    8.7126   -0.7253 H   0  0  0  0  0
   14.9416   11.1783   -0.6287 H   0  0  0  0  0
   14.6573   11.2661   -2.3694 H   0  0  0  0  0
   16.8564   10.3030   -2.8547 H   0  0  0  0  0
   17.1451    9.9633   -1.1480 H   0  0  0  0  0
   17.1611   12.3637   -0.6097 H   0  0  0  0  0
   16.7714   12.7921   -2.2702 H   0  0  0  0  0
   18.8954   11.9600   -3.1080 H   0  0  0  0  0
   19.2714   11.1615   -1.5752 H   0  0  0  0  0
   19.5244   14.0216   -2.2092 H   0  0  0  0  0
   19.2532   12.5477    2.4556 H   0  0  0  0  0
   20.7186   13.4213    2.0558 H   0  0  0  0  0
   20.5673   10.3572    1.7788 H   0  0  0  0  0
   22.8837   12.3442    2.0060 H   0  0  0  0  0
   22.4053   11.4583    0.5446 H   0  0  0  0  0
   26.1809   10.4167    4.5036 H   0  0  0  0  0
   26.2919    8.7086    4.7166 H   0  0  0  0  0
   24.8185    7.4276    6.1630 H   0  0  0  0  0
   23.4636    7.3735    8.2025 H   0  0  0  0  0
   22.6150    9.5037    9.1622 H   0  0  0  0  0
   23.1965   11.6490    8.0495 H   0  0  0  0  0
   25.4797   12.0852    5.3294 H   0  0  0  0  0
   24.9440   12.7068    6.8720 H   0  0  0  0  0
   23.0167   12.1237    4.5714 H   0  0  0  0  0
   23.6715   13.7269    4.9208 H   0  0  0  0  0
   22.6026   12.9169    6.0773 H   0  0  0  0  0
   24.2856    8.2899    0.9486 H   0  0  0  0  0
   22.7700    7.8224    1.8108 H   0  0  0  0  0
   24.0390    6.6311    1.4846 H   0  0  0  0  0
   20.1097   10.3634    5.2678 H   0  0  0  0  0
   19.9612    9.3862    3.7938 H   0  0  0  0  0
   19.0422   10.9174    3.9633 H   0  0  0  0  0
  1  2  1  0  0  0
  1 45  1  0  0  0
  1 46  1  0  0  0
  1 47  1  0  0  0
  2  3  1  0  0  0
  2 48  1  0  0  0
  2 49  1  0  0  0
  3  4  1  0  0  0
  3 50  1  0  0  0
  3 51  1  0  0  0
  4  5  1  0  0  0
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  7  8  1  0  0  0
  7 58  1  0  0  0
  7 59  1  0  0  0
  8  9  1  0  0  0
  8 60  1  0  0  0
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  9 62  1  0  0  0
  9 63  1  0  0  0
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 14 15  1  0  0  0
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 15 16  1  0  0  0
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 15 75  1  0  0  0
 16 17  1  0  0  0
 16 76  1  0  0  0
 16 77  1  0  0  0
 17 18  1  0  0  0
 17 78  1  0  0  0
 17 79  1  0  0  0
 18 19  1  0  0  0
 18 80  1  0  0  0
 18 81  1  0  0  0
 19 20  1  0  0  0
 19 82  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
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 23 84  1  0  0  0
 24 42  1  0  0  0
 24 25  1  0  0  0
 24 85  1  0  0  0
 25 26  1  0  0  0
 25 86  1  0  0  0
 25 87  1  0  0  0
 26 27  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 39  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
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 30 89  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 90  1  0  0  0
 33 34  2  0  0  0
 33 91  1  0  0  0
 34 35  1  0  0  0
 34 92  1  0  0  0
 35 36  2  0  0  0
 35 93  1  0  0  0
 36 37  1  0  0  0
 37 38  1  0  0  0
 37 94  1  0  0  0
 37 95  1  0  0  0
 38 96  1  0  0  0
 38 97  1  0  0  0
 38 98  1  0  0  0
 39 41  1  0  0  0
 39 40  2  0  0  0
 41 99  1  0  0  0
 41100  1  0  0  0
 41101  1  0  0  0
 42 43  1  0  0  0
 43102  1  0  0  0
 43103  1  0  0  0
 43104  1  0  0  0
M  CHG  2  36   1  44  -1
M  END

>  <Chemical Name>
CV-6209

>  <PubChem CID>
107756

>  <Formula>
C34H60ClN3O6

>  <Molecular Weight>
642.319000

>  <IUPAC Name>
[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC.[Cl-]

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC.[Cl-]

>  <InChI Std. ID>
InChI=1S/C34H59N3O6.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2;/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3;1H

>  <InChI Key>
APUCCVGQZPNXIO-UHFFFAOYSA-N

