1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium iodide

Systemtic Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium iodide Openeye Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium iodide CAS Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium iodide IUPAC Name: 1,3-diethyl-2-methyl-5-(trifluoromethylsulfonyl)benzimidazol-1-ium iodide Traditional Name: 1,3-diethyl-2-methyl-5-triflyl-benzimidazol-1-ium iodide Formula: C13H16F3IN2O2S MolecularWeight: 448.24302

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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.[I-]

Isomeric SMILES

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

InChI

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