[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanol; tris(fluoranyl)methanesulfonate

Systemtic Name: [1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanol; tris(fluoranyl)methanesulfonate Openeye Name: [1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanol; trifluoromethanesulfonate CAS Name: [1-(2-mercaptoethyl)-4-pyridin-1-iumyl]methanol; trifluoromethanesulfonate IUPAC Name: [1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methanol; trifluoromethanesulfonate Traditional Name: [1-(2-mercaptoethyl)pyridin-1-ium-4-yl]methanol triflate Formula: C9H12F3NO4S2 MolecularWeight: 319.32109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CO)CCS.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1CO)CCS.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H11NOS.CHF3O3S/c10-7-8-1-3-9(4-2-8)5-6-11;2-1(3,4)8(5,6)7/h1-4,10H,5-7H2;(H,5,6,7)