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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C14H12ClN2O3+ MolecularWeight: 291.70968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)N)C(=O)OCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=C([NH+]=C1)N)C(=O)OCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN2O3/c15-10-5-3-9(4-6-10)12(18)8-20-14(19)11-2-1-7-17-13(11)16/h1-7H,8H2,(H2,16,17)/p+1