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

Systemtic Name: 2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-methyl-azanium dichloride Openeye Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-methyl-ammonium dichloride CAS Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-methylammonium dichloride IUPAC Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-methylazanium dichloride Traditional Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-methyl-ammonium dichloride Formula: C11H14Cl2F3N3OS MolecularWeight: 364.21457

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N.[Cl-].[Cl-]

Isomeric SMILES

C[NH2+]CC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N.[Cl-].[Cl-]

InChI

InChI=1S/C11H12F3N3OS.2ClH/c1-16-4-5-17-8-3-2-7(18-11(12,13)14)6-9(8)19-10(17)15;;/h2-3,6,15-16H,4-5H2,1H3;2*1H