Tematropium methylsulfate
[CAS# 113932-41-5]

Identification

• Name: Tematropium methylsulfate
• Synonyms: Methyl Sulfate; 2-Phenylpropanedioic Acid (8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Ethyl Ester; Methyl Sulfate; 2-Phenylmalonic Acid (8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Ethyl Ester; Tematropium Methylsulfate
• Molecular Formula: C₂₁H₃₁NO₈S
• Molecular Weight: 457.54
• CAS Registry Number: 113932-41-5
• SMILES: C1=CC=CC=C1C(C(OC2CC3[N+](C)(C)C(C2)CC3)=O)C(OCC)=O.CO[S](=O)(=O)[O-]
• InChI: 1S/C20H28NO4.CH4O4S/c1-4-24-19(22)18(14-8-6-5-7-9-14)20(23)25-17-12-15-10-11-16(13-17)21(15,2)3;1-5-6(2,3)4/h5-9,15-18H,4,10-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: YLMCBOIUJONUGH-UHFFFAOYSA-M