ethyl 1-ethyl-3-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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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)NCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)NCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H29N3O4/c1-6-26-17(4)27(22-14-19(10-13-21(22)26)24(29)31-7-2)16(3)23(28)25-15-18-8-11-20(30-5)12-9-18/h8-14,16H,6-7,15H2,1-5H3/p+1/t16-/m1/s1