
 AC1LCWB4

 53 52  0  0  0  0  0  0  0  0999 V2000
   -1.1568    1.2582    0.7053 H   0  0  0  0  0
    4.2987   -1.0860   -0.7125 C   0  0  0  0  0
    5.6826   -0.4258   -0.8616 C   0  0  0  0  0
    6.4097   -1.0284   -2.0672 C   0  0  0  0  0
    5.5902    1.0341   -1.0469 N   0  0  0  0  0
    5.1150    1.7495    0.1451 C   0  0  0  0  0
    5.1235    3.2695   -0.1104 C   0  0  0  0  0
    4.5216    4.0689    1.0553 C   0  0  0  0  0
    3.2541    3.5907    1.3258 O   0  0  0  0  0
    2.3934    4.0848    2.2489 C   0  0  0  0  0
    1.2943    3.2996    2.6147 C   0  0  0  0  0
    0.3797    3.7553    3.5647 C   0  0  0  0  0
    0.5449    5.0156    4.1587 C   0  0  0  0  0
    1.6401    5.8140    3.7848 C   0  0  0  0  0
    2.5633    5.3505    2.8436 C   0  0  0  0  0
   -0.4515    5.5049    5.1803 C   0  0  0  0  0
    0.2026    5.7605    6.5390 C   0  0  0  0  0
   -0.8013    6.1588    7.4462 O   0  0  0  0  0
   -0.2166    6.7315    8.5933 C   0  0  0  0  0
   -1.3416    7.0736    9.5732 C   0  0  0  0  0
   -1.0126    8.2132   10.5113 C   0  0  0  0  0
   -2.0495    8.4010    9.3894 C   0  0  0  0  0
    6.4225    3.7221   -0.4005 O   0  0  0  0  0
   -0.7184   -0.6865   -2.5086 Cl  0  0  0  0  0
    3.7752   -0.7323    0.1978 H   0  0  0  0  0
    4.4112   -2.1864   -0.6116 H   0  0  0  0  0
    3.6643   -0.8728   -1.5995 H   0  0  0  0  0
    6.2905   -0.6509    0.0430 H   0  0  0  0  0
    5.8423   -0.8344   -3.0034 H   0  0  0  0  0
    6.5260   -2.1260   -1.9408 H   0  0  0  0  0
    7.4201   -0.5778   -2.1639 H   0  0  0  0  0
    4.9683    1.2497   -1.8623 H   0  0  0  0  0
    5.7595    1.5133    1.0205 H   0  0  0  0  0
    4.0736    1.4417    0.3741 H   0  0  0  0  0
    4.4859    3.4637   -1.0006 H   0  0  0  0  0
    4.4820    5.1393    0.7584 H   0  0  0  0  0
    5.1548    3.9598    1.9636 H   0  0  0  0  0
    1.1550    2.3247    2.1639 H   0  0  0  0  0
   -0.4581    3.1250    3.8362 H   0  0  0  0  0
    1.7786    6.7940    4.2232 H   0  0  0  0  0
    3.3975    5.9852    2.5769 H   0  0  0  0  0
   -1.2573    4.7507    5.3215 H   0  0  0  0  0
   -0.9230    6.4415    4.8115 H   0  0  0  0  0
    0.6791    4.8207    6.8974 H   0  0  0  0  0
    0.9748    6.5535    6.4072 H   0  0  0  0  0
    0.3497    7.6515    8.3173 H   0  0  0  0  0
    0.4628    6.0084    9.0998 H   0  0  0  0  0
   -1.9135    6.2648   10.0782 H   0  0  0  0  0
   -0.2122    8.9442   10.2665 H   0  0  0  0  0
   -1.5946    8.3266   11.4497 H   0  0  0  0  0
   -3.1210    8.1863    9.5907 H   0  0  0  0  0
   -1.7319    8.8109    8.4059 H   0  0  0  0  0
    6.9869    3.5392    0.3964 H   0  0  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 23  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 53  1  0  0  0
M  CHG  2   1   1  24  -1
M  END

>  <Chemical Name>
AC1LCWB4

>  <PubChem CID>
657296

>  <Formula>
C18H30ClNO3

>  <Molecular Weight>
343.892000

>  <IUPAC Name>
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydron;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
[H+].CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.[Cl-]

>  <Isomeric SMILES>
[H+].CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.[Cl-]

>  <InChI Std. ID>
InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H

>  <InChI Key>
CHDPSNLJFOQTRK-UHFFFAOYSA-N

