1-methyl-2-methylsulfanyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2-methylsulfanyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2-methylsulfanyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2-(methylthio)-3,3a-dihydrocyclohepta[d]imidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2-methylsulfanyl-3,3a-dihydrocyclohepta[d]imidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2-(methylthio)-3,3a-dihydrocyclohept[d]imidazol-1-ium triflate Formula: C11H13F3N2O3S2 MolecularWeight: 342.35773

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2C1=CC=CC=C2)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(NC2C1=CC=CC=C2)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2S.CHF3O3S/c1-12-9-7-5-3-4-6-8(9)11-10(12)13-2;2-1(3,4)8(5,6)7/h3-8H,1-2H3;(H,5,6,7)