3,3-bis(5-methyl-2-oxidanyl-phenyl)propyl-methyl-di(propan-2-yl)azanium iodide

Systemtic Name: 3,3-bis(5-methyl-2-oxidanyl-phenyl)propyl-methyl-di(propan-2-yl)azanium iodide Openeye Name: 3,3-bis(2-hydroxy-5-methyl-phenyl)propyl-diisopropyl-methyl-ammonium iodide CAS Name: 3,3-bis(2-hydroxy-5-methylphenyl)propyl-methyl-di(propan-2-yl)ammonium iodide IUPAC Name: 3,3-bis(2-hydroxy-5-methylphenyl)propyl-methyl-di(propan-2-yl)azanium iodide Traditional Name: 3,3-bis(2-hydroxy-5-methyl-phenyl)propyl-diisopropyl-methyl-ammonium iodide Formula: C24H36INO2 MolecularWeight: 497.45261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+](C)(C(C)C)C(C)C)C2=C(C=CC(=C2)C)O.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+](C)(C(C)C)C(C)C)C2=C(C=CC(=C2)C)O.[I-]

InChI

InChI=1S/C24H35NO2.HI/c1-16(2)25(7,17(3)4)13-12-20(21-14-18(5)8-10-23(21)26)22-15-19(6)9-11-24(22)27;/h8-11,14-17,20H,12-13H2,1-7H3,(H-,26,27);1H