methane; (phenylmethyl) pyridin-1-ium-3-carboxylate; iodide

Systemtic Name: methane; (phenylmethyl) pyridin-1-ium-3-carboxylate; iodide Openeye Name: benzyl pyridin-1-ium-3-carboxylate; methane; iodide CAS Name: methane; 3-pyridin-1-iumcarboxylic acid (phenylmethyl) ester; iodide IUPAC Name: benzyl pyridin-1-ium-3-carboxylate; methane; iodide Traditional Name: methane; pyridin-1-ium-3-carboxylic acid benzyl ester; iodide Formula: C14H16INO2 MolecularWeight: 357.18681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO2.CH4.HI/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11;;/h1-9H,10H2;1H4;1H