[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C16H16N3O4+ MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C16H15N3O4/c1-10(20)11-5-2-3-7-13(11)19-14(21)9-23-16(22)12-6-4-8-18-15(12)17/h2-8H,9H2,1H3,(H2,17,18)(H,19,21)/p+1