2-(2-azanyl-3,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-(2-azanyl-3,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(2-amino-3,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(2-amino-3,6-dimethyl-1-benzimidazol-3-iumyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(2-amino-3,6-dimethylbenzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(2-amino-3,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(N2CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)N)C

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(N2CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)N)C

InChI

InChI=1S/C25H33N3O2/c1-15-9-10-19-20(11-15)28(23(26)27(19)8)14-21(29)16-12-17(24(2,3)4)22(30)18(13-16)25(5,6)7/h9-13,26H,14H2,1-8H3,(H,29,30)/p+1