dodecyl-dimethyl-(4-oxidanylidenecyclohexyl)azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dodecyl-dimethyl-(4-oxidanylidenecyclohexyl)azanium; tris(fluoranyl)methanesulfonate Openeye Name: dodecyl-dimethyl-(4-oxocyclohexyl)ammonium; trifluoromethanesulfonate CAS Name: dodecyl-dimethyl-(4-oxocyclohexyl)ammonium; trifluoromethanesulfonate IUPAC Name: dodecyl-dimethyl-(4-oxocyclohexyl)azanium; trifluoromethanesulfonate Traditional Name: (4-ketocyclohexyl)-lauryl-dimethyl-ammonium triflate Formula: C21H40F3NO4S MolecularWeight: 459.60681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C1CCC(=O)CC1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C1CCC(=O)CC1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H40NO.CHF3O3S/c1-4-5-6-7-8-9-10-11-12-13-18-21(2,3)19-14-16-20(22)17-15-19;2-1(3,4)8(5,6)7/h19H,4-18H2,1-3H3;(H,5,6,7)/q+1;/p-1