2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethylammonium dichloride IUPAC Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethylazanium dichloride Traditional Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethyl-ammonium dichloride Formula: C12H16Cl2F3N3OS MolecularWeight: 378.24115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3OS.2ClH/c1-17(2)5-6-18-9-4-3-8(19-12(13,14)15)7-10(9)20-11(18)16;;/h3-4,7,16H,5-6H2,1-2H3;2*1H