2-(3,4-dimethylphenyl)-6-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-6-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethylphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-6-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethylphenyl)-6-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethylphenyl)-6-methyl-cinchoninamide Formula: C31H34N3O+ MolecularWeight: 464.62116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C31H33N3O/c1-21-9-12-29-27(17-21)28(19-30(33-29)25-11-10-22(2)23(3)18-25)31(35)32-26-13-15-34(16-14-26)20-24-7-5-4-6-8-24/h4-12,17-19,26H,13-16,20H2,1-3H3,(H,32,35)/p+1