[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-(phenylmethyl)-di(propan-2-yl)azanium iodide

Systemtic Name: [3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-(phenylmethyl)-di(propan-2-yl)azanium iodide Openeye Name: benzyl-[3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-ammonium iodide CAS Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-(phenylmethyl)-di(propan-2-yl)ammonium iodide IUPAC Name: benzyl-[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-di(propan-2-yl)azanium iodide Traditional Name: benzyl-[3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-ammonium iodide Formula: C29H38INO MolecularWeight: 543.52259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+](CC2=CC=CC=C2)(C(C)C)C(C)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+](CC2=CC=CC=C2)(C(C)C)C(C)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C29H37NO.HI/c1-22(2)30(23(3)4,21-25-12-8-6-9-13-25)19-18-27(26-14-10-7-11-15-26)28-20-24(5)16-17-29(28)31;/h6-17,20,22-23,27H,18-19,21H2,1-5H3;1H