
 CHEMBL255646

 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>
CHEMBL255646

>  <PubChem CID>
44447735

>  <Formula>
C30H37N5O2

>  <Molecular Weight>
499.659000

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

>  <XlogP>
4.1

>  <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=CC=CC=N5

>  <Isomeric SMILES>
CC1=C(C(=[N+](C=C1)[O-])C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=N5

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

>  <InChI Key>
QLHFHZYYINJDOP-UHFFFAOYSA-N

