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

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C23H28N2O2S/c1-22(2,3)15-11-14(12-16(20(15)27)23(4,5)6)19(26)13-28-21-24-17-9-7-8-10-18(17)25-21/h7-12,27H,13H2,1-6H3,(H,24,25)/p+1