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

Systemtic Name: 2,6-ditert-butyl-4-[2-phenylazanyl-3-(phenylmethyl)-1,3-thiazol-3-ium-4-yl]phenol bromide Openeye Name: 4-(2-anilino-3-benzyl-thiazol-3-ium-4-yl)-2,6-ditert-butyl-phenol bromide CAS Name: 4-[2-anilino-3-(phenylmethyl)-4-thiazol-3-iumyl]-2,6-ditert-butylphenol bromide IUPAC Name: 4-(2-anilino-3-benzyl-1,3-thiazol-3-ium-4-yl)-2,6-ditert-butylphenol bromide Traditional Name: 4-(2-anilino-3-benzyl-thiazol-3-ium-4-yl)-2,6-ditert-butyl-phenol bromide Formula: C30H35BrN2OS MolecularWeight: 551.5807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=[N+]2CC3=CC=CC=C3)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H34N2OS.BrH/c1-29(2,3)24-17-22(18-25(27(24)33)30(4,5)6)26-20-34-28(31-23-15-11-8-12-16-23)32(26)19-21-13-9-7-10-14-21;/h7-18,20,33H,19H2,1-6H3;1H