3-(3-Hydroxy-1-Oxo-2-Phenylpropoxy)-8-Methyl-8-(1-Methylethyl)-(3-Endo,8-Syn)-8-Azoniabicyclo[3.2.1]Octane
[CAS# 60205-81-4]

Identification

• Name: 3-(3-Hydroxy-1-Oxo-2-Phenylpropoxy)-8-Methyl-8-(1-Methylethyl)-(3-Endo,8-Syn)-8-Azoniabicyclo[3.2.1]Octane
• Synonyms: (8-Isopropyl-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) 3-Hydroxy-2-Phenyl-Propanoate Bromide; 3-Hydroxy-2-Phenylpropanoic Acid (8-Isopropyl-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Bromide; 3-Hydroxy-2-Phenyl-Propionic Acid (8-Isopropyl-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Bromide
• Molecular Formula: C₂₀H₃₀BrNO₃
• Molecular Weight: 412.37
• CAS Registry Number: 60205-81-4
• SMILES: C1=CC=CC=C1C(C(OC3CC2CCC([N+]2(C(C)C)C)C3)=O)CO.[Br-]
• InChI: 1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1
• InChIKey: LHLMOSXCXGLMMN-UHFFFAOYSA-M

Properties

• solubility: Soluble to 50 mM in water