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

Systemtic Name: ethyl 3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(4-butylanilino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(4-butylanilino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-butylanilino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(4-butylanilino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C

InChI

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