phenyl 3-cyanopyridin-1-ium-1-carboxylate chloride

Systemtic Name: phenyl 3-cyanopyridin-1-ium-1-carboxylate chloride Openeye Name: phenyl 3-cyanopyridin-1-ium-1-carboxylate chloride CAS Name: 3-cyano-1-pyridin-1-iumcarboxylic acid phenyl ester chloride IUPAC Name: phenyl 3-cyanopyridin-1-ium-1-carboxylate chloride Traditional Name: 3-cyanopyridin-1-ium-1-carboxylic acid phenyl ester chloride Formula: C13H9ClN2O2 MolecularWeight: 260.67576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)[N+]2=CC=CC(=C2)C#N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)[N+]2=CC=CC(=C2)C#N.[Cl-]

InChI

InChI=1S/C13H9N2O2.ClH/c14-9-11-5-4-8-15(10-11)13(16)17-12-6-2-1-3-7-12;/h1-8,10H;1H/q+1;/p-1