(4-methylphenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide

Systemtic Name: (4-methylphenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide Openeye Name: p-tolylmethyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid (4-methylphenyl)methyl ester iodide IUPAC Name: (4-methylphenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid (4-methylbenzyl) ester iodide Formula: C16H18INO2 MolecularWeight: 383.22409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CC2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C16H18NO2.HI/c1-13-3-5-15(6-4-13)12-19-16(18)11-14-7-9-17(2)10-8-14;/h3-10H,11-12H2,1-2H3;1H/q+1;/p-1