2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]-N,N-diethyl-ethanamide chloride

Systemtic Name: 2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]-N,N-diethyl-ethanamide chloride Openeye Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]-N,N-diethyl-acetamide chloride CAS Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]-N,N-diethylacetamide chloride IUPAC Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]-N,N-diethylacetamide chloride Traditional Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]-N,N-diethyl-acetamide chloride Formula: C14H17ClF3N3O2S MolecularWeight: 383.81689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O2S.ClH/c1-3-19(4-2)12(21)8-20-10-6-5-9(22-14(15,16)17)7-11(10)23-13(20)18;/h5-7,18H,3-4,8H2,1-2H3;1H