
 CHEMBL126770

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.1285   -0.2928   -0.8142 C   0  0  0  0  0
    2.1807   -0.0414    0.2736 N   0  0  0  0  0
    1.5225   -0.2216    1.6394 C   0  0  0  0  0
    3.2542   -1.1289    0.1086 C   0  0  0  0  0
    2.8309    1.3875    0.0699 C   0  0  0  0  0
    3.8691    1.7038    1.1563 C   0  0  0  0  0
    4.6174    3.0122    0.8207 C   0  0  0  0  0
    3.6214    4.1438    0.6307 C   0  0  0  0  0
    4.0427    5.4674    0.8470 C   0  0  0  0  0
    3.1699    6.5345    0.6460 C   0  0  0  0  0
    1.8662    6.2950    0.2251 C   0  0  0  0  0
    1.4332    4.9878    0.0081 C   0  0  0  0  0
    2.3022    3.9022    0.2043 C   0  0  0  0  0
    1.7663    2.5060   -0.0005 C   0  0  0  0  0
    5.5987    2.8120   -0.3362 C   0  0  0  0  0
    6.7272    1.9941   -0.1418 C   0  0  0  0  0
    7.6483    1.7818   -1.1705 C   0  0  0  0  0
    7.4654    2.3911   -2.4078 C   0  0  0  0  0
    6.3611    3.2108   -2.6185 C   0  0  0  0  0
    5.4332    3.4166   -1.5942 C   0  0  0  0  0
    1.5963   -0.1307   -1.7896 H   0  0  0  0  0
    0.2900    0.3914   -0.6611 H   0  0  0  0  0
    0.7761   -1.3254   -0.7256 H   0  0  0  0  0
    0.7249    0.5142    1.7565 H   0  0  0  0  0
    2.2793   -0.1061    2.4187 H   0  0  0  0  0
    1.1003   -1.2307    1.6848 H   0  0  0  0  0
    3.7786   -0.9588   -0.8352 H   0  0  0  0  0
    2.7587   -2.1047    0.1004 H   0  0  0  0  0
    3.9413   -1.0843    0.9558 H   0  0  0  0  0
    3.3286    1.3211   -0.9059 H   0  0  0  0  0
    4.5889    0.8905    1.2810 H   0  0  0  0  0
    3.3673    1.8287    2.1249 H   0  0  0  0  0
    5.2208    3.2659    1.7050 H   0  0  0  0  0
    5.0639    5.6764    1.1635 H   0  0  0  0  0
    3.5090    7.5543    0.8138 H   0  0  0  0  0
    1.1858    7.1291    0.0683 H   0  0  0  0  0
    0.4058    4.8259   -0.3135 H   0  0  0  0  0
    0.9940    2.3552    0.7603 H   0  0  0  0  0
    1.2770    2.4680   -0.9817 H   0  0  0  0  0
    6.9150    1.5289    0.8242 H   0  0  0  0  0
    8.5226    1.1571   -1.0006 H   0  0  0  0  0
    8.1934    2.2442   -3.2023 H   0  0  0  0  0
    6.2307    3.7079   -3.5776 H   0  0  0  0  0
    4.5964    4.0815   -1.8004 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
CHEMBL126770

>  <PubChem CID>
10046074

>  <Formula>
C19H24N+

>  <Molecular Weight>
266.408000

>  <IUPAC Name>
trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
0

>  <Canonical SMILES>
C[N+](C)(C)C1CC(C2=CC=CC=C2C1)C3=CC=CC=C3

>  <Isomeric SMILES>
C[N+](C)(C)[C@H]1C[C@@H](C2=CC=CC=C2C1)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H24N/c1-20(2,3)17-13-16-11-7-8-12-18(16)19(14-17)15-9-5-4-6-10-15/h4-12,17,19H,13-14H2,1-3H3/q+1/t17-,19-/m1/s1

>  <InChI Key>
DDJVCQZXVDKEPP-IEBWSBKVSA-N

