
 CHEMBL33761

 73 76  0  0  0  0  0  0  0  0999 V2000
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    6.2426    5.2150   -0.7306 H   0  0  0  0  0
    4.5432    5.0036   -0.3281 H   0  0  0  0  0
    4.8527    7.2362   -0.4817 H   0  0  0  0  0
    5.7560    7.2072   -1.9561 H   0  0  0  0  0
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    5.7343    3.6406   -4.2082 H   0  0  0  0  0
    6.9861    4.3974   -3.2498 H   0  0  0  0  0
  1  2  1  0  0  0
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M  CHG  1   2   1
M  END

>  <Chemical Name>
CHEMBL33761

>  <PubChem CID>
10816699

>  <Formula>
C29H41N2O+

>  <Molecular Weight>
433.660000

>  <IUPAC Name>
N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,2-diphenylacetamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C[N+]1(CCC(CC1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4CCCCCCC4

>  <Isomeric SMILES>
C[N+]1(CCC(CC1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC4CCCCCCC4

>  <InChI Std. ID>
InChI=1S/C29H40N2O/c1-31(23-24-13-7-3-2-4-8-14-24)21-19-27(20-22-31)30-29(32)28(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h5-6,9-12,15-18,24,27-28H,2-4,7-8,13-14,19-23H2,1H3/p+1

>  <InChI Key>
BZCILPSWGDUJQI-UHFFFAOYSA-O

