3-(2-ethylsulfanylethyl)-N-methyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine chloride

Systemtic Name: 3-(2-ethylsulfanylethyl)-N-methyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine chloride Openeye Name: 3-(2-ethylsulfanylethyl)-N-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride CAS Name: 3-[2-(ethylthio)ethyl]-N-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride IUPAC Name: 3-(2-ethylsulfanylethyl)-N-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine chloride Traditional Name: [3-[2-(ethylthio)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]-methyl-amine chloride Formula: C13H16ClF3N2OS2 MolecularWeight: 372.85715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N2OS2.ClH/c1-3-20-7-6-18-10-5-4-9(19-13(14,15)16)8-11(10)21-12(18)17-2;/h4-5,8H,3,6-7H2,1-2H3;1H