1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone Openeye Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-prop-2-enyl-1-benzimidazol-1-iumyl)ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-prop-2-enylbenzimidazol-1-ium-1-yl)ethanone Traditional Name: 2-(3-allylbenzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C26H33N2O2+ MolecularWeight: 405.55242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CN(C3=CC=CC=C32)CC=C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CN(C3=CC=CC=C32)CC=C

InChI

InChI=1S/C26H32N2O2/c1-8-13-27-17-28(22-12-10-9-11-21(22)27)16-23(29)18-14-19(25(2,3)4)24(30)20(15-18)26(5,6)7/h8-12,14-15,17H,1,13,16H2,2-7H3/p+1