ethyl 1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]isonipecotic acid ethyl ester Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=[N+](C=CN2)C3=CC=CC(=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=[N+](C=CN2)C3=CC=CC(=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-3-31-25(30)26(19-22-9-5-4-6-10-22)12-15-28(16-13-26)20-24-27-14-17-29(24)23-11-7-8-21(2)18-23/h4-11,14,17-18H,3,12-13,15-16,19-20H2,1-2H3/p+1