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

Systemtic Name: 2-[2-azanyl-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone bromide Openeye Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(2-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(2-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone bromide Formula: C30H35BrClN3O2 MolecularWeight: 584.9748

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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)CC4=CC=CC=C4Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4Cl.[Br-]

InChI

InChI=1S/C30H34ClN3O2.BrH/c1-29(2,3)21-15-20(16-22(27(21)36)30(4,5)6)26(35)18-34-25-14-10-9-13-24(25)33(28(34)32)17-19-11-7-8-12-23(19)31;/h7-16,32H,17-18H2,1-6H3,(H,35,36);1H