[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C17H17FN2O4 MolecularWeight: 332.326283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C17H17FN2O4/c1-12(24-17(22)14-7-10-20(23)11-8-14)16(21)19-9-6-13-2-4-15(18)5-3-13/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21)/t12-/m1/s1