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

Systemtic Name: ethyl 3-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H28N3O4+ MolecularWeight: 422.49682

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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=CC(=C3)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-6-26-17(5)27(22-14-19(11-12-21(22)26)24(30)31-7-2)15(3)23(29)25-20-10-8-9-18(13-20)16(4)28/h8-15H,6-7H2,1-5H3/p+1/t15-/m1/s1