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

Systemtic Name: ethyl 1-ethyl-3-[(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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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=C3OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C23H27N3O4/c1-6-25-16(4)26(20-14-17(12-13-19(20)25)23(28)30-7-2)15(3)22(27)24-18-10-8-9-11-21(18)29-5/h8-15H,6-7H2,1-5H3/p+1/t15-/m1/s1