2-(4-methylmorpholin-4-ium-4-yl)ethanethiol; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethanethiol; tris(fluoranyl)methanesulfonate Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)ethanethiol; trifluoromethanesulfonate CAS Name: 2-(4-methyl-4-morpholin-4-iumyl)ethanethiol; trifluoromethanesulfonate IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)ethanethiol; trifluoromethanesulfonate Traditional Name: 2-(4-methylmorpholin-4-ium-4-yl)ethanethiol triflate Formula: C8H16F3NO4S2 MolecularWeight: 311.34215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCS.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)CCS.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H15NOS.CHF3O3S/c1-8(4-7-10)2-5-9-6-3-8;2-1(3,4)8(5,6)7/h2-7H2,1H3;(H,5,6,7)