1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone iodide

Systemtic Name: 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone iodide Openeye Name: 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone iodide CAS Name: 1-[4-(3-methyl-1-imidazol-3-iumyl)phenyl]ethanone iodide IUPAC Name: 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone iodide Traditional Name: 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone iodide Formula: C12H13IN2O MolecularWeight: 328.14889

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)C.[I-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)C.[I-]

InChI

InChI=1S/C12H13N2O.HI/c1-10(15)11-3-5-12(6-4-11)14-8-7-13(2)9-14;/h3-9H,1-2H3;1H/q+1;/p-1