[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C15H15N2O3+ MolecularWeight: 271.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C15H14N2O3/c1-10-4-6-11(7-5-10)13(18)9-20-15(19)12-3-2-8-17-14(12)16/h2-8H,9H2,1H3,(H2,16,17)/p+1