
 CHEMBL2064265

 53 54  0  0  0  0  0  0  0  0999 V2000
   10.8682    0.8335    8.3454 C   0  0  0  0  0
   11.4692    2.2239    8.4823 C   0  0  0  0  0
   11.9332    2.8189    7.1520 C   0  0  0  0  0
   10.7857    3.1230    6.1860 C   0  0  0  0  0
   11.3151    3.7530    4.8969 C   0  0  0  0  0
   10.1890    4.0563    3.9067 C   0  0  0  0  0
   10.7550    4.6299    2.6068 C   0  0  0  0  0
    9.6489    5.0051    1.6216 C   0  0  0  0  0
   10.2415    5.5457    0.3489 C   0  0  0  0  0
   10.3147    6.8561    0.0731 C   0  0  0  0  0
   10.9399    7.3523   -1.1540 C   0  0  0  0  0
   10.1598    7.6142   -2.2765 C   0  0  0  0  0
    8.6902    7.4113   -2.4356 C   0  0  0  0  0
    8.4034    8.2540   -3.6719 C   0  0  0  0  0
    9.6999    8.2465   -4.4715 C   0  0  0  0  0
   10.7133    8.0453   -3.4282 N   0  0  0  0  0
   12.0385    8.2524   -3.5704 C   0  0  0  0  0
   12.8626    8.0267   -2.4585 C   0  0  0  0  0
   12.3238    7.5721   -1.2443 C   0  0  0  0  0
   13.2442    7.3238   -0.0763 C   0  0  0  0  0
   12.6023    8.7510   -4.8648 C   0  0  0  0  0
   10.6481    0.4208    9.3350 H   0  0  0  0  0
   11.5624    0.1534    7.8418 H   0  0  0  0  0
    9.9324    0.8545    7.7800 H   0  0  0  0  0
   12.3337    2.1632    9.1545 H   0  0  0  0  0
   10.7431    2.8923    8.9593 H   0  0  0  0  0
   12.6482    2.1369    6.6757 H   0  0  0  0  0
   12.4773    3.7481    7.3628 H   0  0  0  0  0
   10.0712    3.8039    6.6639 H   0  0  0  0  0
   10.2449    2.2031    5.9389 H   0  0  0  0  0
   12.0391    3.0741    4.4300 H   0  0  0  0  0
   11.8503    4.6808    5.1346 H   0  0  0  0  0
    9.4875    4.7703    4.3551 H   0  0  0  0  0
    9.6264    3.1402    3.6897 H   0  0  0  0  0
   11.4290    3.8954    2.1478 H   0  0  0  0  0
   11.3588    5.5179    2.8344 H   0  0  0  0  0
    8.9765    5.7427    2.0765 H   0  0  0  0  0
    9.0370    4.1278    1.3802 H   0  0  0  0  0
   10.6471    4.8053   -0.3393 H   0  0  0  0  0
    9.9383    7.6030    0.7693 H   0  0  0  0  0
    8.1133    7.7649   -1.5765 H   0  0  0  0  0
    8.4767    6.3532   -2.6170 H   0  0  0  0  0
    8.1790    9.2838   -3.3647 H   0  0  0  0  0
    7.5473    7.8902   -4.2469 H   0  0  0  0  0
    9.8747    9.1929   -4.9885 H   0  0  0  0  0
    9.7653    7.3942   -5.1548 H   0  0  0  0  0
   13.9356    8.2009   -2.5413 H   0  0  0  0  0
   14.2766    7.6025   -0.3140 H   0  0  0  0  0
   13.2435    6.2624    0.1917 H   0  0  0  0  0
   12.9354    7.9217    0.7873 H   0  0  0  0  0
   13.6859    8.6004   -4.9097 H   0  0  0  0  0
   12.3972    9.8203   -4.9718 H   0  0  0  0  0
   12.1633    8.2134   -5.7102 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  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  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  2  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
M  CHG  1  16   1
M  END

>  <Chemical Name>
CHEMBL2064265

>  <PubChem CID>
70692903

>  <Formula>
C20H32N+

>  <Molecular Weight>
286.483000

>  <IUPAC Name>
8-[(E)-dec-1-enyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
0

>  <Canonical SMILES>
CCCCCCCCC=CC1=C2CCC[N+]2=C(C=C1C)C

>  <Isomeric SMILES>
CCCCCCCC/C=C/C1=C2CCC[N+]2=C(C=C1C)C

>  <InChI Std. ID>
InChI=1S/C20H32N/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21/h11,13,16H,4-10,12,14-15H2,1-3H3/q+1/b13-11+

>  <InChI Key>
AGGJXWWYHWPZGM-ACCUITESSA-N

