
 CHEMBL2057534

 53 54  0  0  0  0  0  0  0  0999 V2000
    2.4738   -0.0879    4.4494 C   0  0  0  0  0
    3.7266   -0.1376    3.5895 C   0  0  0  0  0
    4.2268    1.2646    3.2418 C   0  0  0  0  0
    5.4942    1.2038    2.3875 C   0  0  0  0  0
    5.9999    2.6033    2.0321 C   0  0  0  0  0
    7.3010    2.5350    1.2290 C   0  0  0  0  0
    7.7763    3.9288    0.8156 C   0  0  0  0  0
    9.1496    3.8751    0.1419 C   0  0  0  0  0
    9.5351    5.2193   -0.4166 C   0  0  0  0  0
   10.1974    6.1469    0.2898 C   0  0  0  0  0
   10.5641    7.4814   -0.2115 C   0  0  0  0  0
    9.6301    8.3255   -0.8172 C   0  0  0  0  0
    8.2021    8.0413   -1.1488 C   0  0  0  0  0
    7.6481    9.4418   -1.3691 C   0  0  0  0  0
    8.8347   10.2671   -1.8429 C   0  0  0  0  0
    9.9717    9.5653   -1.2318 N   0  0  0  0  0
   11.2086   10.0779   -1.0765 C   0  0  0  0  0
   12.1754    9.2823   -0.4502 C   0  0  0  0  0
   11.8657    7.9818   -0.0195 C   0  0  0  0  0
   12.9473    7.1645    0.6445 C   0  0  0  0  0
   11.5211   11.4714   -1.5275 C   0  0  0  0  0
    2.1360   -1.1020    4.6852 H   0  0  0  0  0
    1.6609    0.4287    3.9294 H   0  0  0  0  0
    2.6656    0.4338    5.3926 H   0  0  0  0  0
    3.5096   -0.6937    2.6701 H   0  0  0  0  0
    4.5078   -0.6892    4.1254 H   0  0  0  0  0
    4.4323    1.8206    4.1649 H   0  0  0  0  0
    3.4438    1.8118    2.7026 H   0  0  0  0  0
    5.2896    0.6453    1.4663 H   0  0  0  0  0
    6.2749    0.6578    2.9301 H   0  0  0  0  0
    6.1687    3.1783    2.9514 H   0  0  0  0  0
    5.2334    3.1352    1.4547 H   0  0  0  0  0
    7.1495    1.9237    0.3319 H   0  0  0  0  0
    8.0737    2.0427    1.8303 H   0  0  0  0  0
    7.8314    4.5765    1.7010 H   0  0  0  0  0
    7.0383    4.3785    0.1382 H   0  0  0  0  0
    9.1438    3.1475   -0.6781 H   0  0  0  0  0
    9.9039    3.5300    0.8594 H   0  0  0  0  0
    9.2454    5.3900   -1.4512 H   0  0  0  0  0
   10.4954    5.9253    1.3146 H   0  0  0  0  0
    7.6663    7.5336   -0.3423 H   0  0  0  0  0
    8.1414    7.4513   -2.0689 H   0  0  0  0  0
    7.2885    9.8450   -0.4137 H   0  0  0  0  0
    6.8090    9.4624   -2.0707 H   0  0  0  0  0
    8.7886   11.2986   -1.4873 H   0  0  0  0  0
    8.9725   10.2203   -2.9277 H   0  0  0  0  0
   13.1797    9.6781   -0.2980 H   0  0  0  0  0
   13.9173    7.6722    0.6010 H   0  0  0  0  0
   13.0648    6.2006    0.1389 H   0  0  0  0  0
   12.7057    7.0011    1.6996 H   0  0  0  0  0
   12.5959   11.6753   -1.4822 H   0  0  0  0  0
   11.0104   12.1948   -0.8845 H   0  0  0  0  0
   11.2000   11.6184   -2.5629 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>
CHEMBL2057534

>  <PubChem CID>
62707282

>  <Formula>
C20H32N+

>  <Molecular Weight>
286.483000

>  <IUPAC Name>
8-[(Z)-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-QBFSEMIESA-N

