ethyl 3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(2,6-diethylanilino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(2,6-diethylanilino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,6-diethylanilino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(2,6-diethylanilino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-6-18-11-10-12-19(7-2)24(18)26-23(29)16-28-17(5)27(8-3)21-14-13-20(15-22(21)28)25(30)31-9-4/h10-15H,6-9,16H2,1-5H3/p+1