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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methylthiazol-3-ium-3-yl)ethanone bromide Formula: C20H28BrNO2S MolecularWeight: 426.41082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2S.BrH/c1-13-11-24-12-21(13)10-17(22)14-8-15(19(2,3)4)18(23)16(9-14)20(5,6)7;/h8-9,11-12H,10H2,1-7H3;1H