phenyl 3-methylpyridin-1-ium-1-carboxylate chloride

Systemtic Name: phenyl 3-methylpyridin-1-ium-1-carboxylate chloride Openeye Name: phenyl 3-methylpyridin-1-ium-1-carboxylate chloride CAS Name: 3-methyl-1-pyridin-1-iumcarboxylic acid phenyl ester chloride IUPAC Name: phenyl 3-methylpyridin-1-ium-1-carboxylate chloride Traditional Name: 3-methylpyridin-1-ium-1-carboxylic acid phenyl ester chloride Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=O)OC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=O)OC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H12NO2.ClH/c1-11-6-5-9-14(10-11)13(15)16-12-7-3-2-4-8-12;/h2-10H,1H3;1H/q+1;/p-1