1-[[2-bromanyl-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine bromide

Systemtic Name: 1-[[2-bromanyl-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine bromide Openeye Name: 1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine bromide CAS Name: 1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridin-1-iumamine bromide IUPAC Name: 1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine bromide Traditional Name: [1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-yl]amine bromide Formula: C13H11Br2F3N2O2S MolecularWeight: 476.10685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)N)CS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)Br.[Br-]

Isomeric SMILES

C1=CC=[N+](C(=C1)N)CS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)Br.[Br-]

InChI

InChI=1S/C13H10BrF3N2O2S.BrH/c14-10-7-9(13(15,16)17)4-5-11(10)22(20,21)8-19-6-2-1-3-12(19)18;/h1-7,18H,8H2;1H