2-(1-methyl-6-phenacyl-pyridin-1-ium-2-yl)-1-phenyl-ethanone; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(1-methyl-6-phenacyl-pyridin-1-ium-2-yl)-1-phenyl-ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 2-(1-methyl-6-phenacyl-pyridin-1-ium-2-yl)-1-phenyl-ethanone; trifluoromethanesulfonate CAS Name: 2-(1-methyl-6-phenacyl-2-pyridin-1-iumyl)-1-phenylethanone; trifluoromethanesulfonate IUPAC Name: 2-(1-methyl-6-phenacylpyridin-1-ium-2-yl)-1-phenylethanone; trifluoromethanesulfonate Traditional Name: 2-(1-methyl-6-phenacyl-pyridin-1-ium-2-yl)-1-phenyl-ethanone triflate Formula: C23H20F3NO5S MolecularWeight: 479.46881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC=C1CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC=C1CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H20NO2.CHF3O3S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;2-1(3,4)8(5,6)7/h2-14H,15-16H2,1H3;(H,5,6,7)/q+1;/p-1