3,6-dimethyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3,6-dimethyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3,6-dimethyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium; trifluoromethanesulfonate CAS Name: 3,6-dimethyl-2-(methylthio)-1,8a-dihydrocyclohepta[d]imidazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3,6-dimethyl-2-methylsulfanyl-1,8a-dihydrocyclohepta[d]imidazol-3-ium; trifluoromethanesulfonate Traditional Name: 3,6-dimethyl-2-(methylthio)-1,8a-dihydrocyclohept[d]imidazol-3-ium triflate Formula: C12H15F3N2O3S2 MolecularWeight: 356.38431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(C=C1)NC(=[N+]2C)SC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C2C(C=C1)NC(=[N+]2C)SC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14N2S.CHF3O3S/c1-8-4-6-9-10(7-5-8)13(2)11(12-9)14-3;2-1(3,4)8(5,6)7/h4-7,9H,1-3H3;(H,5,6,7)