1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone; trifluoromethanesulfonate CAS Name: 1-(4-bromophenyl)-2-(1-methyl-2-pyridin-1-iumyl)ethanone; trifluoromethanesulfonate IUPAC Name: 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone; trifluoromethanesulfonate Traditional Name: 1-(4-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone triflate Formula: C15H13BrF3NO4S MolecularWeight: 440.23223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1CC(=O)C2=CC=C(C=C2)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H13BrNO.CHF3O3S/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11;2-1(3,4)8(5,6)7/h2-9H,10H2,1H3;(H,5,6,7)/q+1;/p-1