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

Systemtic Name: 3-phenethyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: [3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine bromide Formula: C16H14BrF3N2OS MolecularWeight: 419.25937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N.[Br-]

InChI

InChI=1S/C16H13F3N2OS.BrH/c17-16(18,19)22-12-6-7-13-14(10-12)23-15(20)21(13)9-8-11-4-2-1-3-5-11;/h1-7,10,20H,8-9H2;1H