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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)C(C)C(=O)N(C)CC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)N(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H30N3O3/c1-6-26-18(4)27(22-15-20(13-14-21(22)26)24(29)30-7-2)17(3)23(28)25(5)16-19-11-9-8-10-12-19/h8-15,17H,6-7,16H2,1-5H3/q+1/t17-/m1/s1