
 CHEMBL562897

 71 76  0  0  0  0  0  0  0  0999 V2000
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    3.6459    8.0894    4.7554 H   0  0  0  0  0
  1  6  1  0  0  0
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M  CHG  2  13   1  15  -1
M  END

>  <Chemical Name>
CHEMBL562897

>  <PubChem CID>
45270199

>  <Formula>
C30H33FN4O3

>  <Molecular Weight>
516.617000

>  <IUPAC Name>
N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-oxido-3-(piperidine-1-carbonyl)pyridin-1-ium-4-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C2=C(C=C[N+](=C2)[O-])C(=O)NC3CC4CCC(C3)N4CC5=CC6=C(C=C5)C=C(C=C6)F

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)C2=C(C=C[N+](=C2)[O-])C(=O)NC3CC4CCC(C3)N4CC5=CC6=C(C=C5)C=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C30H33FN4O3/c31-23-7-6-21-14-20(4-5-22(21)15-23)18-35-25-8-9-26(35)17-24(16-25)32-29(36)27-10-13-34(38)19-28(27)30(37)33-11-2-1-3-12-33/h4-7,10,13-15,19,24-26H,1-3,8-9,11-12,16-18H2,(H,32,36)

>  <InChI Key>
SBJLPUIBYIEHFY-UHFFFAOYSA-N

