Pentapiperium Metilsulfate
[CAS# 7681-80-3]

Identification

• Name: Pentapiperium Metilsulfate
• Synonyms: (1,1-Dimethylpiperidin-1-Ium-4-Yl) 3-Methyl-2-Phenyl-Pentanoate; Methyl Sulfate; 3-Methyl-2-Phenylpentanoic Acid (1,1-Dimethyl-4-Piperidin-1-Iumyl) Ester; Methyl Sulfate; 3-Methyl-2-Phenyl-Valeric Acid (1,1-Dimethylpiperidin-1-Ium-4-Yl) Ester; Methyl Sulfate
• Molecular Formula: C₂₀H₃₃NO₆S
• Molecular Weight: 415.54
• CAS Registry Number: 7681-80-3
• EINECS: 231-678-8
• SMILES: C1=CC=CC=C1C(C(OC2CC[N+](C)(C)CC2)=O)C(CC)C.CO[S](=O)(=O)[O-]
• InChI: 1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: YGURFDXYQNOJCS-UHFFFAOYSA-M