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

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H37N3O2/c1-8-9-14-29-21-12-10-11-13-22(21)30(25(29)28)17-23(31)18-15-19(26(2,3)4)24(32)20(16-18)27(5,6)7/h10-13,15-16,28H,8-9,14,17H2,1-7H3,(H,31,32)/p+1