
 CHEMBL3087229

 71 75  0  0  0  0  0  0  0  0999 V2000
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    2.1757    1.5520    5.9962 H   0  0  0  0  0
    3.7430    0.0670    7.7650 H   0  0  0  0  0
    2.6382   -0.6617    6.5635 H   0  0  0  0  0
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    6.0833   -6.0983    8.3622 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
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  1 34  1  0  0  0
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 31 70  1  0  0  0
 32 71  1  0  0  0
M  CHG  1  18   1
M  END

>  <Chemical Name>
CHEMBL3087229

>  <PubChem CID>
72545527

>  <Formula>
C28H39N2O2+

>  <Molecular Weight>
435.632000

>  <IUPAC Name>
[(3R)-1-(3-pyridin-4-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-cyclopenta-1,3-dien-1-ylcycloheptane-1-carboxylate

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCCC(CC1)(C2=CC=CC2)C(=O)OC3C[N+]4(CCC3CC4)CCCC5=CC=NC=C5

>  <Isomeric SMILES>
C1CCCC(CC1)(C2=CC=CC2)C(=O)O[C@H]3C[N+]4(CCC3CC4)CCCC5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C28H39N2O2/c31-27(28(25-9-3-4-10-25)15-5-1-2-6-16-28)32-26-22-30(20-13-24(26)14-21-30)19-7-8-23-11-17-29-18-12-23/h3-4,9,11-12,17-18,24,26H,1-2,5-8,10,13-16,19-22H2/q+1/t24?,26-,30?/m0/s1

>  <InChI Key>
ARCIZOABLFAJAS-OUZZWEIQSA-N

