
 CHEMBL478069

 65 69  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  2 35  1  0  0  0
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  3  4  1  0  0  0
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  4  5  1  0  0  0
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M  CHG  1   3   1
M  END

>  <Chemical Name>
CHEMBL478069

>  <PubChem CID>
42625861

>  <Formula>
C29H34NO+

>  <Molecular Weight>
412.597000

>  <IUPAC Name>
1,1-diphenyl-2-[1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]ethanol

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1C[N+]2(CCC1C(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5

>  <Isomeric SMILES>
C1C[N+]2(CCC1C(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H34NO/c31-29(27-12-6-2-7-13-27,28-14-8-3-9-15-28)22-26-23-30(20-17-25(26)18-21-30)19-16-24-10-4-1-5-11-24/h1-15,25-26,31H,16-23H2/q+1

>  <InChI Key>
AMFVETCMQRLSFN-UHFFFAOYSA-N

