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

Systemtic Name: 5-[bis(fluoranyl)methylsulfonyl]-1,3-diethyl-2-methyl-benzimidazol-1-ium iodide Openeye Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methyl-benzimidazol-1-ium iodide CAS Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methylbenzimidazol-1-ium iodide IUPAC Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methylbenzimidazol-1-ium iodide Traditional Name: 5-(difluoromethylsulfonyl)-1,3-diethyl-2-methyl-benzimidazol-1-ium iodide Formula: C13H17F2IN2O2S MolecularWeight: 430.252556

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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.[I-]

Isomeric SMILES

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

InChI

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