1-butyl-3-methyl-imidazol-3-ium; (3-hexyl-1-methyl-1H-imidazol-1-ium-2-ylidene)-bis(trifluoromethylsulfonyl)azanium; dibromide

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; (3-hexyl-1-methyl-1H-imidazol-1-ium-2-ylidene)-bis(trifluoromethylsulfonyl)azanium; dibromide Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; (3-hexyl-1-methyl-1H-imidazol-1-ium-2-ylidene)-bis(trifluoromethylsulfonyl)ammonium; dibromide CAS Name: 1-butyl-3-methylimidazol-3-ium; (3-hexyl-1-methyl-1H-imidazol-1-ium-2-ylidene)-bis(trifluoromethylsulfonyl)ammonium; dibromide IUPAC Name: 1-butyl-3-methylimidazol-3-ium; (3-hexyl-1-methyl-1H-imidazol-1-ium-2-ylidene)-bis(trifluoromethylsulfonyl)azanium; dibromide Traditional Name: 1-butyl-3-methyl-imidazol-3-ium; (1-hexyl-3-methyl-4-imidazolin-3-ium-2-ylidene)-ditriflyl-ammonium; dibromide Formula: C20H34Br2F6N5O4S2+ MolecularWeight: 746.443479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C[NH+](C1=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C.CCCCN1C=C[N+](=C1)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCN1/C(=[N+](\S(=O)(=O)C(F)(F)F)/S(=O)(=O)C(F)(F)F)/[NH+](C=C1)C.CCCCN1C=[N+](C=C1)C.[Br-].[Br-]

InChI

InChI=1S/C12H18F6N3O4S2.C8H15N2.2BrH/c1-3-4-5-6-7-20-9-8-19(2)10(20)21(26(22,23)11(13,14)15)27(24,25)12(16,17)18;1-3-4-5-10-7-6-9(2)8-10;;/h8-9H,3-7H2,1-2H3;6-8H,3-5H2,1-2H3;2*1H/q2*+1;;/p-1