2-(3,4-dimethylphenyl)-8-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-8-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)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-8-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3,4-dimethylphenyl)-8-methyl-cinchoninamide Formula: C31H34N3O+ MolecularWeight: 464.62116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

InChI

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