1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one CAS Name: trifluoromethanesulfonate; 1-[(1,3,4-trimethyl-2-imidazol-1-iumyl)thio]-2-propanone IUPAC Name: trifluoromethanesulfonate; 1-(1,3,4-trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one Traditional Name: 1-[(1,3,4-trimethylimidazol-1-ium-2-yl)thio]acetone triflate Formula: C10H15F3N2O4S2 MolecularWeight: 348.36231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(N1C)SCC(=O)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C[N+](=C(N1C)SCC(=O)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H15N2OS.CHF3O3S/c1-7-5-10(3)9(11(7)4)13-6-8(2)12;2-1(3,4)8(5,6)7/h5H,6H2,1-4H3;(H,5,6,7)/q+1;/p-1