2,3-dihydro-1H-indolizin-4-ium-1-thiol; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,3-dihydro-1H-indolizin-4-ium-1-thiol; tris(fluoranyl)methanesulfonate Openeye Name: 2,3-dihydro-1H-indolizin-4-ium-1-thiol; trifluoromethanesulfonate CAS Name: 2,3-dihydro-1H-indolizin-4-ium-1-thiol; trifluoromethanesulfonate IUPAC Name: 2,3-dihydro-1H-indolizin-4-ium-1-thiol; trifluoromethanesulfonate Traditional Name: 2,3-dihydro-1H-indolizin-4-ium-1-thiol triflate Formula: C9H10F3NO3S2 MolecularWeight: 301.30581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=CC=CC=C2C1S.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1C[N+]2=CC=CC=C2C1S.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H9NS.CHF3O3S/c10-8-4-6-9-5-2-1-3-7(8)9;2-1(3,4)8(5,6)7/h1-3,5,8H,4,6H2;(H,5,6,7)