1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide Formula: C21H30BrNO2S MolecularWeight: 440.4374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C.[Br-]

InChI

InChI=1S/C21H29NO2S.BrH/c1-13-14(2)25-12-22(13)11-18(23)15-9-16(20(3,4)5)19(24)17(10-15)21(6,7)8;/h9-10,12H,11H2,1-8H3;1H