2,4,6-trimethylpyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4,6-trimethylpyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,4,6-trimethylpyridin-1-ium CAS Name: trifluoromethanesulfonate; 2,4,6-trimethylpyridin-1-ium IUPAC Name: trifluoromethanesulfonate; 2,4,6-trimethylpyridin-1-ium Traditional Name: 2,4,6-trimethylpyridin-1-ium triflate Formula: C9H12F3NO3S MolecularWeight: 271.25669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H11N.CHF3O3S/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)