
 AC1L8OQE

 90 94  0  0  0  0  0  0  0  0999 V2000
    2.5332    1.9359   -0.7317 C   0  0  0  0  0
    2.1864    0.4788   -0.3637 N   0  0  0  0  0
    0.6539    0.3976   -0.3157 C   0  0  0  0  0
    2.7543   -0.4308   -1.4709 C   0  0  0  0  0
    2.2285   -1.8727   -1.4492 C   0  0  0  0  0
    2.9219   -2.7096   -2.5377 C   0  0  0  0  0
    2.3169   -4.1118   -2.6860 C   0  0  0  0  0
    3.0291   -4.9153   -3.7890 C   0  0  0  0  0
    2.4489   -6.3303   -3.9085 C   0  0  0  0  0
    3.1465   -7.2145   -4.9662 N   0  0  0  0  0
    3.0785   -6.5627   -6.3552 C   0  0  0  0  0
    4.6174   -7.4551   -4.6230 C   0  0  0  0  0
    2.4023   -8.5809   -5.0910 C   0  0  0  0  0
    2.3905   -9.3922   -3.7986 C   0  0  0  0  0
    1.6357  -10.7092   -3.9957 C   0  0  0  0  0
    1.5968  -11.4745   -2.7684 N   0  0  0  0  0
    0.6881  -11.2627   -1.7659 C   0  0  0  0  0
   -0.1860  -10.4192   -1.7174 O   0  0  0  0  0
    1.0365  -12.1907   -0.6898 C   0  0  0  0  0
    0.4157  -12.4339    0.5180 C   0  0  0  0  0
    1.0002  -13.3849    1.3725 C   0  0  0  0  0
    0.4122  -13.6939    2.6070 C   0  0  0  0  0
    0.9884  -14.6432    3.4526 C   0  0  0  0  0
    2.1613  -15.2939    3.0791 C   0  0  0  0  0
    2.7677  -15.0013    1.8567 C   0  0  0  0  0
    2.2063  -14.0550    0.9885 C   0  0  0  0  0
    2.8140  -13.7679   -0.2454 C   0  0  0  0  0
    2.2005  -12.8390   -1.0605 C   0  0  0  0  0
    2.5907  -12.3266   -2.3725 C   0  0  0  0  0
    3.6405  -12.5626   -2.9399 O   0  0  0  0  0
    2.7215    0.1525    1.0537 C   0  0  0  0  0
    4.2325    0.3171    1.1970 C   0  0  0  0  0
    4.6701    0.1111    2.6512 C   0  0  0  0  0
    6.1119    0.2097    2.7785 N   0  0  0  0  0
    6.9634   -0.8273    2.5181 C   0  0  0  0  0
    6.6815   -1.9507    2.1439 O   0  0  0  0  0
    8.3186   -0.2981    2.6641 C   0  0  0  0  0
    9.5428   -0.9264    2.5483 C   0  0  0  0  0
   10.6829   -0.1312    2.6990 C   0  0  0  0  0
   10.5735    1.2530    2.9502 C   0  0  0  0  0
    9.3208    1.8683    3.0564 C   0  0  0  0  0
    8.2101    1.0616    2.9122 C   0  0  0  0  0
    6.7839    1.3907    2.9267 C   0  0  0  0  0
    6.3187    2.5136    2.9721 O   0  0  0  0  0
    3.6065    2.0044   -0.9246 H   0  0  0  0  0
    2.2374    2.5836    0.0982 H   0  0  0  0  0
    1.9811    2.1994   -1.6394 H   0  0  0  0  0
    0.2870    1.1816    0.3539 H   0  0  0  0  0
    0.3665   -0.5835    0.0719 H   0  0  0  0  0
    0.2682    0.5467   -1.3284 H   0  0  0  0  0
    3.8451   -0.4053   -1.3923 H   0  0  0  0  0
    2.4811    0.0347   -2.4261 H   0  0  0  0  0
    1.1499   -1.8806   -1.6427 H   0  0  0  0  0
    2.3933   -2.3385   -0.4724 H   0  0  0  0  0
    3.9887   -2.7963   -2.2976 H   0  0  0  0  0
    2.8502   -2.1875   -3.4997 H   0  0  0  0  0
    1.2507   -4.0277   -2.9301 H   0  0  0  0  0
    2.3902   -4.6466   -1.7317 H   0  0  0  0  0
    4.0974   -4.9607   -3.5532 H   0  0  0  0  0
    2.9218   -4.3747   -4.7350 H   0  0  0  0  0
    1.3875   -6.2909   -4.1796 H   0  0  0  0  0
    2.5522   -6.8384   -2.9454 H   0  0  0  0  0
    2.0325   -6.3323   -6.5762 H   0  0  0  0  0
    3.4813   -7.2683   -7.0885 H   0  0  0  0  0
    3.6857   -5.6541   -6.3530 H   0  0  0  0  0
    4.6877   -7.7882   -3.5849 H   0  0  0  0  0
    5.1667   -6.5190   -4.7537 H   0  0  0  0  0
    5.0124   -8.2132   -5.3058 H   0  0  0  0  0
    2.9034   -9.1415   -5.8896 H   0  0  0  0  0
    1.3807   -8.3503   -5.4158 H   0  0  0  0  0
    1.9053   -8.8348   -2.9915 H   0  0  0  0  0
    3.4107   -9.6130   -3.4676 H   0  0  0  0  0
    2.1247  -11.3121   -4.7694 H   0  0  0  0  0
    0.6054  -10.5078   -4.3100 H   0  0  0  0  0
   -0.4964  -11.9084    0.7852 H   0  0  0  0  0
   -0.5071  -13.2050    2.9240 H   0  0  0  0  0
    0.5180  -14.8799    4.4046 H   0  0  0  0  0
    2.6033  -16.0363    3.7404 H   0  0  0  0  0
    3.6817  -15.5289    1.5896 H   0  0  0  0  0
    3.7307  -14.2582   -0.5609 H   0  0  0  0  0
    2.4173   -0.8742    1.2840 H   0  0  0  0  0
    2.1994    0.8263    1.7442 H   0  0  0  0  0
    4.5543    1.3152    0.8831 H   0  0  0  0  0
    4.7576   -0.4028    0.5608 H   0  0  0  0  0
    4.3569   -0.8785    3.0029 H   0  0  0  0  0
    4.2108    0.8712    3.2930 H   0  0  0  0  0
    9.6172   -1.9902    2.3486 H   0  0  0  0  0
   11.6715   -0.5824    2.6202 H   0  0  0  0  0
   11.4791    1.8487    3.0608 H   0  0  0  0  0
    9.2292    2.9336    3.2425 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 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 48  1  0  0  0
  3 49  1  0  0  0
  3 50  1  0  0  0
  4  5  1  0  0  0
  4 51  1  0  0  0
  4 52  1  0  0  0
  5  6  1  0  0  0
  5 53  1  0  0  0
  5 54  1  0  0  0
  6  7  1  0  0  0
  6 55  1  0  0  0
  6 56  1  0  0  0
  7  8  1  0  0  0
  7 57  1  0  0  0
  7 58  1  0  0  0
  8  9  1  0  0  0
  8 59  1  0  0  0
  8 60  1  0  0  0
  9 10  1  0  0  0
  9 61  1  0  0  0
  9 62  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 63  1  0  0  0
 11 64  1  0  0  0
 11 65  1  0  0  0
 12 66  1  0  0  0
 12 67  1  0  0  0
 12 68  1  0  0  0
 13 14  1  0  0  0
 13 69  1  0  0  0
 13 70  1  0  0  0
 14 15  1  0  0  0
 14 71  1  0  0  0
 14 72  1  0  0  0
 15 16  1  0  0  0
 15 73  1  0  0  0
 15 74  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 28  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 75  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 76  1  0  0  0
 23 24  2  0  0  0
 23 77  1  0  0  0
 24 25  1  0  0  0
 24 78  1  0  0  0
 25 26  2  0  0  0
 25 79  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 80  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 31 81  1  0  0  0
 31 82  1  0  0  0
 32 33  1  0  0  0
 32 83  1  0  0  0
 32 84  1  0  0  0
 33 34  1  0  0  0
 33 85  1  0  0  0
 33 86  1  0  0  0
 34 43  1  0  0  0
 34 35  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 42  1  0  0  0
 37 38  2  0  0  0
 38 39  1  0  0  0
 38 87  1  0  0  0
 39 40  2  0  0  0
 39 88  1  0  0  0
 40 41  1  0  0  0
 40 89  1  0  0  0
 41 42  2  0  0  0
 41 90  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
M  CHG  2   2   1  10   1
M  END

>  <Chemical Name>
AC1L8OQE

>  <PubChem CID>
405254

>  <Formula>
C36H46N4O4+2

>  <Molecular Weight>
598.788000

>  <IUPAC Name>
3-(1,3-dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC=CC=C5C4=O

>  <Isomeric SMILES>
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC=CC=C5C4=O

>  <InChI Std. ID>
InChI=1S/C36H46N4O4/c1-39(2,23-13-19-37-33(41)29-17-9-10-18-30(29)34(37)42)21-11-5-6-12-22-40(3,4)24-14-20-38-35(43)31-25-27-15-7-8-16-28(27)26-32(31)36(38)44/h7-10,15-18,25-26H,5-6,11-14,19-24H2,1-4H3/q+2

>  <InChI Key>
FVODIWLVMJQBHY-UHFFFAOYSA-N

