[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-3-19(15-9-5-4-6-10-15)16(20)13(2)23-17(21)14-8-7-11-18(22)12-14/h4-13H,3H2,1-2H3/t13-/m0/s1