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

Systemtic Name: 2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 2-(3-allyl-2-imino-benzimidazol-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone hydrobromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-imino-3-prop-2-enyl-1-benzimidazolyl)ethanone hydrobromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)ethanone hydrobromide Traditional Name: 2-(3-allyl-2-imino-benzimidazol-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone hydrobromide Formula: C26H34BrN3O2 MolecularWeight: 500.47106

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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=C3N(C2=N)CC=C.Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3N(C2=N)CC=C.Br

InChI

InChI=1S/C26H33N3O2.BrH/c1-8-13-28-20-11-9-10-12-21(20)29(24(28)27)16-22(30)17-14-18(25(2,3)4)23(31)19(15-17)26(5,6)7;/h8-12,14-15,27,31H,1,13,16H2,2-7H3;1H