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

Systemtic Name: 2-(4-chlorophenyl)-6-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenyl)-6-methyl-quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-6-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenyl)-6-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-chlorophenyl)-6-methyl-cinchoninamide Formula: C29H29ClN3O+ MolecularWeight: 471.01306

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H28ClN3O/c1-20-7-12-27-25(17-20)26(18-28(32-27)22-8-10-23(30)11-9-22)29(34)31-24-13-15-33(16-14-24)19-21-5-3-2-4-6-21/h2-12,17-18,24H,13-16,19H2,1H3,(H,31,34)/p+1