1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone Openeye Name: 1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone CAS Name: 1-(4-iodophenyl)-2-(4-methyl-1-pyrimidin-1-iumyl)ethanone IUPAC Name: 1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone Traditional Name: 1-(4-iodophenyl)-2-(4-methylpyrimidin-1-ium-1-yl)ethanone Formula: C13H12IN2O+ MolecularWeight: 339.15165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=NC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H12IN2O/c1-10-6-7-16(9-15-10)8-13(17)11-2-4-12(14)5-3-11/h2-7,9H,8H2,1H3/q+1