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

Systemtic Name: ethyl 1-ethyl-3-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H26N3O5+ MolecularWeight: 424.46964

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-5-25-15(3)26(20-13-17(9-12-19(20)25)23(29)31-6-2)14-21(27)24-18-10-7-16(8-11-18)22(28)30-4/h7-13H,5-6,14H2,1-4H3/p+1