1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; trifluoromethanesulfonate CAS Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; trifluoromethanesulfonate IUPAC Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium; trifluoromethanesulfonate Traditional Name: 1,3-diethyl-2-methyl-5-triflyl-benzimidazol-1-ium triflate Formula: C14H16F6N2O5S2 MolecularWeight: 470.407659

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)C(F)(F)F)CC)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)C(F)(F)F)CC)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H16F3N2O2S.CHF3O3S/c1-4-17-9(3)18(5-2)12-8-10(6-7-11(12)17)21(19,20)13(14,15)16;2-1(3,4)8(5,6)7/h6-8H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1