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

Systemtic Name: 2-tert-butyl-4-[[1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-methyl-phenol Openeye Name: 2-tert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]hexahydropyrimidin-1-ium-1-yl]methyl]-6-methyl-phenol CAS Name: 2-tert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-methylphenol IUPAC Name: 2-tert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-methylphenol Traditional Name: 2-tert-butyl-4-[[1-(3,5-ditert-butyl-4-hydroxy-benzyl)hexahydropyrimidin-1-ium-1-yl]methyl]-6-methyl-phenol Formula: C31H49N2O2+ MolecularWeight: 481.73296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C[N+]2(CCCNC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C[N+]2(CCCNC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C31H48N2O2/c1-21-14-22(15-24(27(21)34)29(2,3)4)18-33(13-11-12-32-20-33)19-23-16-25(30(5,6)7)28(35)26(17-23)31(8,9)10/h14-17,32H,11-13,18-20H2,1-10H3,(H-,34,35)/p+1