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

Systemtic Name: 1-[1-(phenylmethyl)pyridin-1-ium-3-yl]ethanone; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1-benzylpyridin-1-ium-3-yl)ethanone; trifluoromethanesulfonate CAS Name: 1-[1-(phenylmethyl)-3-pyridin-1-iumyl]ethanone; trifluoromethanesulfonate IUPAC Name: 1-(1-benzylpyridin-1-ium-3-yl)ethanone; trifluoromethanesulfonate Traditional Name: 1-(1-benzylpyridin-1-ium-3-yl)ethanone triflate Formula: C15H14F3NO4S MolecularWeight: 361.33617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14NO.CHF3O3S/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13;2-1(3,4)8(5,6)7/h2-9,11H,10H2,1H3;(H,5,6,7)/q+1;/p-1