[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H20N2O6/c1-12(26-18(22)14-6-4-5-9-20(14)23)17(21)19-11-13-7-8-15(24-2)16(10-13)25-3/h4-10,12H,11H2,1-3H3,(H,19,21)/t12-/m1/s1