4-[[1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethyl-phenol

Systemtic Name: 4-[[1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]hexahydropyrimidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[1-(3,5-ditert-butyl-4-hydroxy-benzyl)hexahydropyrimidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Formula: C28H43N2O2+ MolecularWeight: 439.65322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[N+]2(CCCNC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[N+]2(CCCNC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H42N2O2/c1-19-12-21(13-20(2)25(19)31)16-30(11-9-10-29-18-30)17-22-14-23(27(3,4)5)26(32)24(15-22)28(6,7)8/h12-15,29H,9-11,16-18H2,1-8H3,(H-,31,32)/p+1