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

Systemtic Name: methanesulfonate; 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone Openeye Name: methanesulfonate; 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone CAS Name: methanesulfonate; 1-[4-(3-methyl-1-imidazol-3-iumyl)phenyl]ethanone IUPAC Name: methanesulfonate; 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone Traditional Name: 1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone mesylate Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O.CH4O3S/c1-10(15)11-3-5-12(6-4-11)14-8-7-13(2)9-14;1-5(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1