
 CHEMBL255858

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   5   1   8  -1
M  END

>  <Chemical Name>
CHEMBL255858

>  <PubChem CID>
10278617

>  <Formula>
C30H37N5O2

>  <Molecular Weight>
499.659000

>  <IUPAC Name>
(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=[N+](C=C1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CN=CC=C5

>  <Isomeric SMILES>
CC1=C(C(=[N+](C=C1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3

>  <InChI Key>
DDVVRHNNOPQPGB-UHFFFAOYSA-N

