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

Systemtic Name: 2-[[1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-iodanyl-4-methyl-phenol Openeye Name: 2-[[1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]hexahydropyrimidin-1-ium-1-yl]methyl]-6-iodo-4-methyl-phenol CAS Name: 2-[[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-iodo-4-methylphenol IUPAC Name: 2-[[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-6-iodo-4-methylphenol Traditional Name: 2-[[1-(4-hydroxy-3,5-dimethyl-benzyl)hexahydropyrimidin-1-ium-1-yl]methyl]-6-iodo-4-methyl-phenol Formula: C21H28IN2O2+ MolecularWeight: 467.36369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27IN2O2/c1-14-7-18(21(26)19(22)8-14)12-24(6-4-5-23-13-24)11-17-9-15(2)20(25)16(3)10-17/h7-10,23H,4-6,11-13H2,1-3H3,(H-,25,26)/p+1