5-[bis(fluoranyl)methylsulfonyl]-1,3-diethyl-2-methyl-benzimidazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-[bis(fluoranyl)methylsulfonyl]-1,3-diethyl-2-methyl-benzimidazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methyl-benzimidazol-1-ium; 4-methylbenzenesulfonate CAS Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methylbenzimidazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methylbenzimidazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methyl-benzimidazol-1-ium tosylate Formula: C20H24F2N2O5S2 MolecularWeight: 474.541766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)C(F)F)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)S(=O)(=O)C(F)F)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H17F2N2O2S.C7H8O3S/c1-4-16-9(3)17(5-2)12-8-10(6-7-11(12)16)20(18,19)13(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,13H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1