[(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(2,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H17NO6 MolecularWeight: 331.31998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=C(C=C1)OC)OC)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=C(C=C(C=C1)OC)OC)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C17H17NO6/c1-11(24-17(20)12-6-8-18(21)9-7-12)16(19)14-5-4-13(22-2)10-15(14)23-3/h4-11H,1-3H3/t11-/m1/s1