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

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone bromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]ethanone bromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]ethanone bromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanone bromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]ethanone bromide Formula: C22H32BrNO3S MolecularWeight: 470.46338

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)CCO.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3S.BrH/c1-14-19(8-9-24)27-13-23(14)12-18(25)15-10-16(21(2,3)4)20(26)17(11-15)22(5,6)7;/h10-11,13,24H,8-9,12H2,1-7H3;1H