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

Systemtic Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate Openeye Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate CAS Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate IUPAC Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane; trifluoromethanesulfonate Traditional Name: 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane triflate Formula: C8H15F3N2O3S MolecularWeight: 276.27651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15N2.CHF3O3S/c1-9-5-2-8(3-6-9)4-7-9;2-1(3,4)8(5,6)7/h2-7H2,1H3;(H,5,6,7)/q+1;/p-1