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

Systemtic Name: 1-[[2-bromanyl-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine Openeye Name: 1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine CAS Name: 1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridin-1-iumamine IUPAC Name: 1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-amine Traditional Name: [1-[[2-bromo-4-(trifluoromethyl)phenyl]sulfonylmethyl]pyridin-1-ium-2-yl]amine Formula: C13H11BrF3N2O2S+ MolecularWeight: 396.20285

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrF3N2O2S/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/p+1