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

Systemtic Name: 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C26H35N3O2/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/h9-12,14-15,27H,8,13,16H2,1-7H3,(H,30,31)/p+1