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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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