2,6-ditert-butyl-4-(2-phenylazanyl-1,3-thiazol-3-ium-4-yl)phenol bromide

Systemtic Name: 2,6-ditert-butyl-4-(2-phenylazanyl-1,3-thiazol-3-ium-4-yl)phenol bromide Openeye Name: 4-(2-anilinothiazol-3-ium-4-yl)-2,6-ditert-butyl-phenol bromide CAS Name: 4-(2-anilino-4-thiazol-3-iumyl)-2,6-ditert-butylphenol bromide IUPAC Name: 4-(2-anilino-1,3-thiazol-3-ium-4-yl)-2,6-ditert-butylphenol bromide Traditional Name: 4-(2-anilinothiazol-3-ium-4-yl)-2,6-ditert-butyl-phenol bromide Formula: C23H29BrN2OS MolecularWeight: 461.45816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[NH+]2)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[NH+]2)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H28N2OS.BrH/c1-22(2,3)17-12-15(13-18(20(17)26)23(4,5)6)19-14-27-21(25-19)24-16-10-8-7-9-11-16;/h7-14,26H,1-6H3,(H,24,25);1H