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

Systemtic Name: 2-tert-butyl-4-[[1-[2,2-dimethyl-1-(5-methyl-2-oxidanyl-phenyl)propyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-methyl-phenol Openeye Name: 2-tert-butyl-4-[[1-[1-(2-hydroxy-5-methyl-phenyl)-2,2-dimethyl-propyl]hexahydropyrimidin-1-ium-1-yl]methyl]-6-methyl-phenol CAS Name: 2-tert-butyl-4-[[1-[1-(2-hydroxy-5-methylphenyl)-2,2-dimethylpropyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-methylphenol IUPAC Name: 2-tert-butyl-4-[[1-[1-(2-hydroxy-5-methylphenyl)-2,2-dimethylpropyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-methylphenol Traditional Name: 2-tert-butyl-4-[[1-[1-(2-hydroxy-5-methyl-phenyl)-2,2-dimethyl-propyl]hexahydropyrimidin-1-ium-1-yl]methyl]-6-methyl-phenol Formula: C28H43N2O2+ MolecularWeight: 439.65322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2/c1-19-10-11-24(31)22(14-19)26(28(6,7)8)30(13-9-12-29-18-30)17-21-15-20(2)25(32)23(16-21)27(3,4)5/h10-11,14-16,26,29H,9,12-13,17-18H2,1-8H3,(H-,31,32)/p+1