2-ethanoylsulfanylethyl-hexadecyl-dimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-ethanoylsulfanylethyl-hexadecyl-dimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: 2-acetylsulfanylethyl-hexadecyl-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: 2-(acetylthio)ethyl-hexadecyl-dimethylammonium; trifluoromethanesulfonate IUPAC Name: 2-acetylsulfanylethyl-hexadecyl-dimethylazanium; trifluoromethanesulfonate Traditional Name: 2-(acetylthio)ethyl-cetyl-dimethyl-ammonium triflate Formula: C23H46F3NO4S2 MolecularWeight: 521.74085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCSC(=O)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCSC(=O)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H46NOS.CHF3O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,4)20-21-25-22(2)24;2-1(3,4)8(5,6)7/h5-21H2,1-4H3;(H,5,6,7)/q+1;/p-1