[4-(4-hydroxyphenyl)-5-oxidanylidene-4-phenyl-heptan-2-yl]-dimethyl-azanium iodide

Systemtic Name: [4-(4-hydroxyphenyl)-5-oxidanylidene-4-phenyl-heptan-2-yl]-dimethyl-azanium iodide Openeye Name: [3-(4-hydroxyphenyl)-1-methyl-4-oxo-3-phenyl-hexyl]-dimethyl-ammonium iodide CAS Name: [4-(4-hydroxyphenyl)-5-oxo-4-phenylheptan-2-yl]-dimethylammonium iodide IUPAC Name: [4-(4-hydroxyphenyl)-5-oxo-4-phenylheptan-2-yl]-dimethylazanium iodide Traditional Name: [3-(4-hydroxyphenyl)-4-keto-1-methyl-3-phenyl-hexyl]-dimethyl-ammonium iodide Formula: C21H28INO2 MolecularWeight: 453.35699

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.[I-]

Isomeric SMILES

CCC(=O)C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=C(C=C2)O.[I-]

InChI

InChI=1S/C21H27NO2.HI/c1-5-20(24)21(15-16(2)22(3)4,17-9-7-6-8-10-17)18-11-13-19(23)14-12-18;/h6-14,16,23H,5,15H2,1-4H3;1H