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

Systemtic Name: ethyl 1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]isonipecotic acid ethyl ester Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-3-32-25(30)26(19-21-7-5-4-6-8-21)13-16-28(17-14-26)20-24-27-15-18-29(24)22-9-11-23(31-2)12-10-22/h4-12,15,18H,3,13-14,16-17,19-20H2,1-2H3/p+1