alpha-Phenylmandelic acid N,N-dimethylpiperidinium-2-methyl ester methylsulfate
[CAS# 33371-53-8]

Identification

• Name: alpha-Phenylmandelic acid N,N-dimethylpiperidinium-2-methyl ester methylsulfate
• Synonyms: (1,1-Dimethylpiperidin-1-Ium-2-Yl)Methyl 2-Hydroxy-2,2-Diphenyl-Acetate; Methyl Sulfate; 2-Hydroxy-2,2-Diphenylacetic Acid (1,1-Dimethyl-2-Piperidin-1-Iumyl)Methyl Ester; Methyl Sulfate; 2-Hydroxy-2,2-Diphenyl-Acetic Acid (1,1-Dimethylpiperidin-1-Ium-2-Yl)Methyl Ester; Methyl Sulfate
• Molecular Formula: C₂₃H₃₁NO₇S
• Molecular Weight: 465.56
• CAS Registry Number: 33371-53-8
• SMILES: C1=CC=CC=C1C(C2=CC=CC=C2)(C(OCC3[N+](CCCC3)(C)C)=O)O.CO[S](=O)(=O)[O-]
• InChI: 1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: AXKJGGRSAVLXTE-UHFFFAOYSA-M