methyl 2-(pyridin-1-ium-3-ylcarbonylamino)benzoate chloride

Systemtic Name: methyl 2-(pyridin-1-ium-3-ylcarbonylamino)benzoate chloride Openeye Name: methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate chloride CAS Name: 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate chloride Traditional Name: 2-(pyridin-1-ium-3-carbonylamino)benzoic acid methyl ester chloride Formula: C14H13ClN2O3 MolecularWeight: 292.71762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=C[NH+]=CC=C2.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=C[NH+]=CC=C2.[Cl-]

InChI

InChI=1S/C14H12N2O3.ClH/c1-19-14(18)11-6-2-3-7-12(11)16-13(17)10-5-4-8-15-9-10;/h2-9H,1H3,(H,16,17);1H