(phenylmethyl) 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: (phenylmethyl) 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: benzyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid benzyl ester iodide Formula: C14H14INO2 MolecularWeight: 355.17093

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C14H14NO2.HI/c1-15-9-5-8-13(10-15)14(16)17-11-12-6-3-2-4-7-12;/h2-10H,11H2,1H3;1H/q+1;/p-1