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

Systemtic Name: ethyl 1-ethyl-3-[(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(1R)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(1R)-2-(N-ethylanilino)-2-keto-1-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N3O3/c1-6-25-18(5)27(22-16-19(14-15-21(22)25)24(29)30-8-3)17(4)23(28)26(7-2)20-12-10-9-11-13-20/h9-17H,6-8H2,1-5H3/q+1/t17-/m1/s1