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

Systemtic Name: ethyl 3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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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)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-6-25-15(3)26(19-12-16(8-10-18(19)25)23(28)31-7-2)14-22(27)24-17-9-11-20(29-4)21(13-17)30-5/h8-13H,6-7,14H2,1-5H3/p+1