1-[2-fluoranyl-1-(2-phenylsulfanylethyl)pyridin-1-ium-3-yl]ethanone; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[2-fluoranyl-1-(2-phenylsulfanylethyl)pyridin-1-ium-3-yl]ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 1-[2-fluoro-1-(2-phenylsulfanylethyl)pyridin-1-ium-3-yl]ethanone; trifluoromethanesulfonate CAS Name: 1-[2-fluoro-1-[2-(phenylthio)ethyl]-3-pyridin-1-iumyl]ethanone; trifluoromethanesulfonate IUPAC Name: 1-[2-fluoro-1-(2-phenylsulfanylethyl)pyridin-1-ium-3-yl]ethanone; trifluoromethanesulfonate Traditional Name: 1-[2-fluoro-1-[2-(phenylthio)ethyl]pyridin-1-ium-3-yl]ethanone triflate Formula: C16H15F4NO4S2 MolecularWeight: 425.418213

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+](=CC=C1)CCSC2=CC=CC=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C([N+](=CC=C1)CCSC2=CC=CC=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H15FNOS.CHF3O3S/c1-12(18)14-8-5-9-17(15(14)16)10-11-19-13-6-3-2-4-7-13;2-1(3,4)8(5,6)7/h2-9H,10-11H2,1H3;(H,5,6,7)/q+1;/p-1