4-tert-butyl-2-[[4-[(5-tert-butyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-tert-butyl-2-[[4-[(5-tert-butyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-tert-butyl-2-[[4-(5-tert-butyl-2-hydroxy-benzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C26H39N2O2+ MolecularWeight: 411.60006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C(C)(C)C)O

InChI

InChI=1S/C26H38N2O2/c1-25(2,3)21-7-9-23(29)19(15-21)17-27-11-13-28(14-12-27)18-20-16-22(26(4,5)6)8-10-24(20)30/h7-10,15-16,29-30H,11-14,17-18H2,1-6H3/p+1