3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one iodide

Systemtic Name: 3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one iodide Openeye Name: 3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one iodide CAS Name: 3-methyl-2-[(1-methyl-2-pyridin-1-iumyl)methyl]-2H-furan-5-one iodide IUPAC Name: 3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one iodide Traditional Name: 3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one iodide Formula: C12H14INO2 MolecularWeight: 331.14953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC1CC2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CC1=CC(=O)OC1CC2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C12H14NO2.HI/c1-9-7-12(14)15-11(9)8-10-5-3-4-6-13(10)2;/h3-7,11H,8H2,1-2H3;1H/q+1;/p-1