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

Systemtic Name: 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone bromide Openeye Name: 2-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone bromide Formula: C31H38BrN3O2 MolecularWeight: 564.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)N.[Br-]

InChI

InChI=1S/C31H37N3O2.BrH/c1-20-12-14-21(15-13-20)18-33-25-10-8-9-11-26(25)34(29(33)32)19-27(35)22-16-23(30(2,3)4)28(36)24(17-22)31(5,6)7;/h8-17,32H,18-19H2,1-7H3,(H,35,36);1H