2-(2-bromoethyl)-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-ol

Systemtic Name: 2-(2-bromoethyl)-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-ol Openeye Name: 2-(2-bromoethyl)-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-ol CAS Name: 2-(2-bromoethyl)-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4-imidazolidin-3-iumol IUPAC Name: 2-(2-bromoethyl)-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-ol Traditional Name: 2-(2-bromoethyl)-3-oxido-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]imidazolidin-3-ium-4-ol Formula: C13H13BrF3N3O2S MolecularWeight: 412.22543

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](C(N1)CCBr)(C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[O-])O

Isomeric SMILES

C1C([N+](C(N1)CCBr)(C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[O-])O

InChI

InChI=1S/C13H13BrF3N3O2S/c14-4-3-10-18-6-11(21)20(10,22)12-19-8-5-7(13(15,16)17)1-2-9(8)23-12/h1-2,5,10-11,18,21H,3-4,6H2