[(E)-2-phenylethenyl] 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide

Systemtic Name: [(E)-2-phenylethenyl] 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide Openeye Name: [(E)-styryl] 2-(1-methylpyridin-1-ium-4-yl)acetate iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid [(E)-2-phenylethenyl] ester iodide IUPAC Name: [(E)-2-phenylethenyl] 2-(1-methylpyridin-1-ium-4-yl)acetate iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid [(E)-styryl] ester iodide Formula: C16H16INO2 MolecularWeight: 381.20821

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(=O)OC=CC2=CC=CC=C2.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO2.HI/c1-17-10-7-15(8-11-17)13-16(18)19-12-9-14-5-3-2-4-6-14;/h2-12H,13H2,1H3;1H/q+1;/p-1/b12-9+;