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

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C26H34N3O2+ MolecularWeight: 420.56706

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=C(N(C3=CC=CC=C32)CC=C)N

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/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/h8-12,14-15,27H,1,13,16H2,2-7H3,(H,30,31)/p+1