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

Systemtic Name: ethyl 3-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H25N4O3+ MolecularWeight: 405.4696

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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)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C23H24N4O3/c1-5-26-16(4)27(21-13-18(10-11-20(21)26)23(29)30-6-2)15(3)22(28)25-19-9-7-8-17(12-19)14-24/h7-13,15H,5-6H2,1-4H3/p+1/t15-/m1/s1