methyl (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enoate iodide

Systemtic Name: methyl (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enoate iodide Openeye Name: methyl (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enoate iodide CAS Name: (E)-3-(1-methyl-4-pyridin-1-iumyl)-2-propenoic acid methyl ester iodide IUPAC Name: methyl (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enoate iodide Traditional Name: (E)-3-(1-methylpyridin-1-ium-4-yl)acrylic acid methyl ester iodide Formula: C10H12INO2 MolecularWeight: 305.11225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO2.HI/c1-11-7-5-9(6-8-11)3-4-10(12)13-2;/h3-8H,1-2H3;1H/q+1;/p-1/b4-3+;