3-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]propan-1-ol bromide

Systemtic Name: 3-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]propan-1-ol bromide Openeye Name: 3-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]propan-1-ol bromide CAS Name: 3-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]-1-propanol bromide IUPAC Name: 3-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]propan-1-ol bromide Traditional Name: 3-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]propan-1-ol bromide Formula: C11H12BrF3N2O2S MolecularWeight: 373.18939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(F)(F)F)SC(=[N+]2CCCO)N.[Br-]

Isomeric SMILES

C1=CC2=C(C=C1OC(F)(F)F)SC(=[N+]2CCCO)N.[Br-]

InChI

InChI=1S/C11H11F3N2O2S.BrH/c12-11(13,14)18-7-2-3-8-9(6-7)19-10(15)16(8)4-1-5-17;/h2-3,6,15,17H,1,4-5H2;1H