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

Systemtic Name: [3-(cyclohexen-1-yl)-1-methylsulfanyl-prop-2-ynyl]-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-(cyclohexen-1-yl)-1-methylsulfanyl-prop-2-ynyl]-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: [3-(1-cyclohexenyl)-1-(methylthio)prop-2-ynyl]-trimethylammonium; trifluoromethanesulfonate IUPAC Name: [3-(cyclohexen-1-yl)-1-methylsulfanylprop-2-ynyl]-trimethylazanium; trifluoromethanesulfonate Traditional Name: [3-(cyclohexen-1-yl)-1-(methylthio)prop-2-ynyl]-trimethyl-ammonium triflate Formula: C14H22F3NO3S2 MolecularWeight: 373.45459

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C#CC1=CCCCC1)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(C#CC1=CCCCC1)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H22NS.CHF3O3S/c1-14(2,3)13(15-4)11-10-12-8-6-5-7-9-12;2-1(3,4)8(5,6)7/h8,13H,5-7,9H2,1-4H3;(H,5,6,7)/q+1;/p-1