2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C30H36N3O2+ MolecularWeight: 470.62574

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)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O2/c1-29(2,3)22-16-21(17-23(27(22)35)30(4,5)6)26(34)19-33-25-15-11-10-14-24(25)32(28(33)31)18-20-12-8-7-9-13-20/h7-17,31H,18-19H2,1-6H3,(H,34,35)/p+1