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

Systemtic Name: ethyl 1-ethyl-3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(4-ethylanilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(4-ethylanilino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(4-ethylanilino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(4-ethylanilino)-2-keto-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:

CCC1=CC=C(C=C1)NC(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C

InChI

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