4-ethyl-1-aza-4-azoniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-ethyl-1-aza-4-azoniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate Openeye Name: 4-ethyl-1-aza-4-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate CAS Name: 4-ethyl-1-aza-4-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate IUPAC Name: 4-ethyl-1-aza-4-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate Traditional Name: 4-ethyl-1-aza-4-azoniabicyclo[2.2.2]octane triflate Formula: C9H17F3N2O3S MolecularWeight: 290.30309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCN(CC1)CC2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]12CCN(CC1)CC2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H17N2.CHF3O3S/c1-2-10-6-3-9(4-7-10)5-8-10;2-1(3,4)8(5,6)7/h2-8H2,1H3;(H,5,6,7)/q+1;/p-1