2-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(p-tolyl)cinchoninamide Formula: C29H30N3O+ MolecularWeight: 436.568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O/c1-21-11-13-23(14-12-21)28-19-26(25-9-5-6-10-27(25)31-28)29(33)30-24-15-17-32(18-16-24)20-22-7-3-2-4-8-22/h2-14,19,24H,15-18,20H2,1H3,(H,30,33)/p+1