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

Systemtic Name: [3-[5-(hydroxymethyl)-2-oxidanyl-phenyl]-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium bromide Openeye Name: [3-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide CAS Name: [3-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium bromide IUPAC Name: [3-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-phenylpropyl]-methyl-di(propan-2-yl)azanium bromide Traditional Name: [3-(2-hydroxy-5-methylol-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium bromide Formula: C23H34BrNO2 MolecularWeight: 436.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C.[Br-]

Isomeric SMILES

CC(C)[N+](C)(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C.[Br-]

InChI

InChI=1S/C23H33NO2.BrH/c1-17(2)24(5,18(3)4)14-13-21(20-9-7-6-8-10-20)22-15-19(16-25)11-12-23(22)26;/h6-12,15,17-18,21,25H,13-14,16H2,1-5H3;1H