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

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone bromide Formula: C24H32BrN3O2 MolecularWeight: 474.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3[N+](=C2N)C.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3[N+](=C2N)C.[Br-]

InChI

InChI=1S/C24H31N3O2.BrH/c1-23(2,3)16-12-15(13-17(21(16)29)24(4,5)6)20(28)14-27-19-11-9-8-10-18(19)26(7)22(27)25;/h8-13,25H,14H2,1-7H3,(H,28,29);1H