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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methyl-5-vinyl-thiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(5-ethenyl-4-methyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-methyl-5-vinyl-thiazol-3-ium-3-yl)ethanone bromide Formula: C22H30BrNO2S MolecularWeight: 452.4481

Click to see the large picture

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=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=C.[Br-]

InChI

InChI=1S/C22H29NO2S.BrH/c1-9-19-14(2)23(13-26-19)12-18(24)15-10-16(21(3,4)5)20(25)17(11-15)22(6,7)8;/h9-11,13H,1,12H2,2-8H3;1H