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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]isonipecotic acid ethyl ester Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=[N+](C=CN2)C3=CC=CC(=C3)C)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=[N+](C=CN2)C3=CC=CC(=C3)C)CC4CC4

InChI

InChI=1S/C23H31N3O2/c1-3-28-22(27)23(16-19-7-8-19)9-12-25(13-10-23)17-21-24-11-14-26(21)20-6-4-5-18(2)15-20/h4-6,11,14-15,19H,3,7-10,12-13,16-17H2,1-2H3/p+1