[3-(4-fluorophenyl)-1-methylsulfanyl-prop-2-ynyl]-trimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(4-fluorophenyl)-1-methylsulfanyl-prop-2-ynyl]-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-(4-fluorophenyl)-1-methylsulfanyl-prop-2-ynyl]-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: [3-(4-fluorophenyl)-1-(methylthio)prop-2-ynyl]-trimethylammonium; trifluoromethanesulfonate IUPAC Name: [3-(4-fluorophenyl)-1-methylsulfanylprop-2-ynyl]-trimethylazanium; trifluoromethanesulfonate Traditional Name: [3-(4-fluorophenyl)-1-(methylthio)prop-2-ynyl]-trimethyl-ammonium triflate Formula: C14H17F4NO3S2 MolecularWeight: 387.413293

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C#CC1=CC=C(C=C1)F)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(C#CC1=CC=C(C=C1)F)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H17FNS.CHF3O3S/c1-15(2,3)13(16-4)10-7-11-5-8-12(14)9-6-11;2-1(3,4)8(5,6)7/h5-6,8-9,13H,1-4H3;(H,5,6,7)/q+1;/p-1