(E)-3-(1-methylpyridin-1-ium-2-yl)prop-2-enoic acid iodide

Systemtic Name: (E)-3-(1-methylpyridin-1-ium-2-yl)prop-2-enoic acid iodide Openeye Name: (E)-3-(1-methylpyridin-1-ium-2-yl)prop-2-enoic acid iodide CAS Name: (E)-3-(1-methyl-2-pyridin-1-iumyl)-2-propenoic acid iodide IUPAC Name: (E)-3-(1-methylpyridin-1-ium-2-yl)prop-2-enoic acid iodide Traditional Name: (E)-3-(1-methylpyridin-1-ium-2-yl)acrylic acid iodide Formula: C9H10INO2 MolecularWeight: 291.08567

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC(=O)O.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.HI/c1-10-7-3-2-4-8(10)5-6-9(11)12;/h2-7H,1H3;1H/b6-5+;