pyridin-1-ium-1-ylmethyl benzoate chloride

Systemtic Name: pyridin-1-ium-1-ylmethyl benzoate chloride Openeye Name: pyridin-1-ium-1-ylmethyl benzoate chloride CAS Name: benzoic acid 1-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-1-ylmethyl benzoate chloride Traditional Name: benzoic acid pyridin-1-ium-1-ylmethyl ester chloride Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NO2.ClH/c15-13(12-7-3-1-4-8-12)16-11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1