ethyl 3-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(4-acetamidoanilino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(4-acetamidoanilino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-acetamidoanilino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(4-acetamidoanilino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H27N4O4+ MolecularWeight: 423.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-5-26-16(4)27(21-13-17(7-12-20(21)26)23(30)31-6-2)14-22(29)25-19-10-8-18(9-11-19)24-15(3)28/h7-13H,5-6,14H2,1-4H3,(H-,24,25,28,29)/p+1