2-(2-azanylidene-3-heptyl-benzimidazol-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide

Systemtic Name: 2-(2-azanylidene-3-heptyl-benzimidazol-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3-heptyl-2-imino-benzimidazol-1-yl)ethanone hydrobromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-heptyl-2-imino-1-benzimidazolyl)ethanone hydrobromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-heptyl-2-iminobenzimidazol-1-yl)ethanone hydrobromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3-heptyl-2-imino-benzimidazol-1-yl)ethanone hydrobromide Formula: C30H44BrN3O2 MolecularWeight: 558.59326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C.Br

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C.Br

InChI

InChI=1S/C30H43N3O2.BrH/c1-8-9-10-11-14-17-32-24-15-12-13-16-25(24)33(28(32)31)20-26(34)21-18-22(29(2,3)4)27(35)23(19-21)30(5,6)7;/h12-13,15-16,18-19,31,35H,8-11,14,17,20H2,1-7H3;1H