iodanium; 2,4,6-trimethylpyridine; tris(fluoranyl)methanesulfonate

Systemtic Name: iodanium; 2,4,6-trimethylpyridine; tris(fluoranyl)methanesulfonate Openeye Name: iodonium; trifluoromethanesulfonate; 2,4,6-trimethylpyridine CAS Name: iodonium; trifluoromethanesulfonate; 2,4,6-trimethylpyridine IUPAC Name: iodanium; trifluoromethanesulfonate; 2,4,6-trimethylpyridine Traditional Name: iodonium $g-collidine triflate Formula: C17H24F3IN2O3S MolecularWeight: 520.34874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)C)C.CC1=CC(=NC(=C1)C)C.C(F)(F)(F)S(=O)(=O)[O-].[IH2+]

Isomeric SMILES

CC1=CC(=NC(=C1)C)C.CC1=CC(=NC(=C1)C)C.C(F)(F)(F)S(=O)(=O)[O-].[IH2+]

InChI

InChI=1S/2C8H11N.CHF3O3S.H2I/c2*1-6-4-7(2)9-8(3)5-6;2-1(3,4)8(5,6)7;/h2*4-5H,1-3H3;(H,5,6,7);1H2/q;;;+1/p-1