[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-12(15(19)17-11-13-5-3-2-4-6-13)22-16(20)14-7-9-18(21)10-8-14/h2-10,12H,11H2,1H3,(H,17,19)/t12-/m1/s1