3-prop-2-ynyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine bromide

Systemtic Name: 3-prop-2-ynyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 3-prop-2-ynyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 3-prop-2-ynyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 3-prop-2-ynyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: [3-propargyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine bromide Formula: C11H8BrF3N2OS MolecularWeight: 353.15823

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N.[Br-]

Isomeric SMILES

C#CC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N.[Br-]

InChI

InChI=1S/C11H7F3N2OS.BrH/c1-2-5-16-8-4-3-7(17-11(12,13)14)6-9(8)18-10(16)15;/h1,3-4,6,15H,5H2;1H