methyl (E)-3-(1-methylpyridin-1-ium-3-yl)prop-2-enoate iodide

Systemtic Name: methyl (E)-3-(1-methylpyridin-1-ium-3-yl)prop-2-enoate iodide Openeye Name: methyl (E)-3-(1-methylpyridin-1-ium-3-yl)prop-2-enoate iodide CAS Name: (E)-3-(1-methyl-3-pyridin-1-iumyl)-2-propenoic acid methyl ester iodide IUPAC Name: methyl (E)-3-(1-methylpyridin-1-ium-3-yl)prop-2-enoate iodide Traditional Name: (E)-3-(1-methylpyridin-1-ium-3-yl)acrylic acid methyl ester iodide Formula: C10H12INO2 MolecularWeight: 305.11225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO2.HI/c1-11-7-3-4-9(8-11)5-6-10(12)13-2;/h3-8H,1-2H3;1H/q+1;/p-1/b6-5+;