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

Systemtic Name: 1-[2-fluoranyl-1-(phenylmethyl)pyridin-1-ium-3-yl]ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1-benzyl-2-fluoro-pyridin-1-ium-3-yl)ethanone; trifluoromethanesulfonate CAS Name: 1-[2-fluoro-1-(phenylmethyl)-3-pyridin-1-iumyl]ethanone; trifluoromethanesulfonate IUPAC Name: 1-(1-benzyl-2-fluoropyridin-1-ium-3-yl)ethanone; trifluoromethanesulfonate Traditional Name: 1-(1-benzyl-2-fluoro-pyridin-1-ium-3-yl)ethanone triflate Formula: C15H13F4NO4S MolecularWeight: 379.326633

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+](=CC=C1)CC2=CC=CC=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C([N+](=CC=C1)CC2=CC=CC=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H13FNO.CHF3O3S/c1-11(17)13-8-5-9-16(14(13)15)10-12-6-3-2-4-7-12;2-1(3,4)8(5,6)7/h2-9H,10H2,1H3;(H,5,6,7)/q+1;/p-1