2-(3-methylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)-1-phenylethanone chloride IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)-1-phenylethanone chloride Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)-1-phenyl-ethanone chloride Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C12H13N2O.ClH/c1-13-7-8-14(10-13)9-12(15)11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1