(phenylmethyl) 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide

Systemtic Name: (phenylmethyl) 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide Openeye Name: benzyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid benzyl ester iodide Formula: C15H16INO2 MolecularWeight: 369.19751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2.HI/c1-16-9-7-13(8-10-16)11-15(17)18-12-14-5-3-2-4-6-14;/h2-10H,11-12H2,1H3;1H/q+1;/p-1