2-[bis(fluoranyl)methylsulfonyl]-5-bromanyl-1-methyl-1-propyl-benzimidazol-1-ium

Systemtic Name: 2-[bis(fluoranyl)methylsulfonyl]-5-bromanyl-1-methyl-1-propyl-benzimidazol-1-ium Openeye Name: 5-bromo-2-(difluoromethylsulfonyl)-1-methyl-1-propyl-benzimidazol-1-ium CAS Name: 5-bromo-2-(difluoromethylsulfonyl)-1-methyl-1-propylbenzimidazol-1-ium IUPAC Name: 5-bromo-2-(difluoromethylsulfonyl)-1-methyl-1-propylbenzimidazol-1-ium Traditional Name: 5-bromo-2-(difluoromethylsulfonyl)-1-methyl-1-propyl-benzimidazol-1-ium Formula: C12H14BrF2N2O2S+ MolecularWeight: 368.217566

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C=C(C=C2)Br)N=C1S(=O)(=O)C(F)F)C

Isomeric SMILES

CCC[N+]1(C2=C(C=C(C=C2)Br)N=C1S(=O)(=O)C(F)F)C

InChI

InChI=1S/C12H14BrF2N2O2S/c1-3-6-17(2)10-5-4-8(13)7-9(10)16-12(17)20(18,19)11(14)15/h4-5,7,11H,3,6H2,1-2H3/q+1