(3-Hydroxy-2,2-Dimethylpropyl)Trimethylammonium Bromide 3-Methyl-2-Phenylvalerate
[CAS# 101699-48-3]

Identification

• Name: (3-Hydroxy-2,2-Dimethylpropyl)Trimethylammonium Bromide 3-Methyl-2-Phenylvalerate
• Synonyms: [2,2-Dimethyl-3-(3-Methyl-2-Phenyl-Pentanoyl)Oxy-Propyl]-Trimethyl-Ammonium Bromide; [2,2-Dimethyl-3-(3-Methyl-1-Oxo-2-Phenylpentoxy)Propyl]-Trimethylammonium Bromide; [2,2-Dimethyl-3-(3-Methyl-2-Phenyl-Pentanoyl)Oxy-Propyl]-Trimethyl-Azanium Bromide
• Molecular Formula: C₂₀H₃₄BrNO₂
• Molecular Weight: 400.40
• CAS Registry Number: 101699-48-3
• SMILES: C1=CC=CC=C1C(C(OCC(C[N+](C)(C)C)(C)C)=O)C(CC)C.[Br-]
• InChI: 1S/C20H34NO2.BrH/c1-8-16(2)18(17-12-10-9-11-13-17)19(22)23-15-20(3,4)14-21(5,6)7;/h9-13,16,18H,8,14-15H2,1-7H3;1H/q+1;/p-1
• InChIKey: HCFPYCTUHPARQY-UHFFFAOYSA-M