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

Systemtic Name: ethyl 1-ethyl-3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=[N+](C3=C2C=C(C=C3)C(=O)OCC)CC)C)C

InChI

InChI=1S/C24H29N3O3/c1-6-18-11-9-10-16(4)23(18)25-22(28)15-27-17(5)26(7-2)20-13-12-19(14-21(20)27)24(29)30-8-3/h9-14H,6-8,15H2,1-5H3/p+1