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

Systemtic Name: 4-[[1-[(3-tert-butyl-5-iodanyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[1-[(3-tert-butyl-4-hydroxy-5-iodo-phenyl)methyl]hexahydropyrimidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[1-[(3-tert-butyl-4-hydroxy-5-iodophenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[1-[(3-tert-butyl-4-hydroxy-5-iodophenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[1-(3-tert-butyl-4-hydroxy-5-iodo-benzyl)hexahydropyrimidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Formula: C24H34IN2O2+ MolecularWeight: 509.44343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33IN2O2/c1-16-9-18(10-17(2)22(16)28)13-27(8-6-7-26-15-27)14-19-11-20(24(3,4)5)23(29)21(25)12-19/h9-12,26H,6-8,13-15H2,1-5H3,(H-,28,29)/p+1