1-fluoranyl-1-azoniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-fluoranyl-1-azoniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate Openeye Name: 1-fluoroquinuclidin-1-ium; trifluoromethanesulfonate CAS Name: 1-fluoro-1-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate IUPAC Name: 1-fluoro-1-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate Traditional Name: 1-fluoroquinuclidin-1-ium triflate Formula: C8H13F4NO3S MolecularWeight: 279.252333

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1CC2)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H13FN.CHF3O3S/c8-9-4-1-7(2-5-9)3-6-9;2-1(3,4)8(5,6)7/h7H,1-6H2;(H,5,6,7)/q+1;/p-1