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

Systemtic Name: ethyl 3-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,5-dimethylanilino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(2,5-dimethylanilino)-2-keto-ethyl]-1-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)CC(=O)NC3=C(C=CC(=C3)C)C)C

Isomeric SMILES

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

InChI

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