ethyl 1-ethyl-2-methyl-3-[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)C(C)C(=O)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H27N3O3/c1-6-25-17(5)26(16(4)22(27)24-19-11-8-15(3)9-12-19)21-14-18(10-13-20(21)25)23(28)29-7-2/h8-14,16H,6-7H2,1-5H3/p+1/t16-/m1/s1