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

Systemtic Name: 3-(phenylmethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine bromide Openeye Name: 3-benzyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide CAS Name: 3-(phenylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide IUPAC Name: 3-benzyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine bromide Traditional Name: [3-benzyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine bromide Formula: C15H12BrF3N2OS MolecularWeight: 405.23279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N2OS.BrH/c16-15(17,18)21-11-6-7-12-13(8-11)22-14(19)20(12)9-10-4-2-1-3-5-10;/h1-8,19H,9H2;1H