(Z)-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one iodide

Systemtic Name: (Z)-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one iodide Openeye Name: (Z)-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one iodide CAS Name: (Z)-4-(1-methyl-3-pyridin-1-iumyl)-3-buten-2-one iodide IUPAC Name: (Z)-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one iodide Traditional Name: (Z)-4-(1-methylpyridin-1-ium-3-yl)but-3-en-2-one iodide Formula: C10H12INO MolecularWeight: 289.11285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO.HI/c1-9(12)5-6-10-4-3-7-11(2)8-10;/h3-8H,1-2H3;1H/q+1;/p-1/b6-5-;