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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-thiazol-3-ium-3-yl-ethanone bromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-thiazol-3-ium-3-yl-ethanone bromide Formula: C19H26BrNO2S MolecularWeight: 412.38424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CSC=C2.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CSC=C2.[Br-]

InChI

InChI=1S/C19H25NO2S.BrH/c1-18(2,3)14-9-13(10-15(17(14)22)19(4,5)6)16(21)11-20-7-8-23-12-20;/h7-10,12H,11H2,1-6H3;1H