(9-Methyl-9-Azoniabicyclo[3.3.1]Nonan-7-Yl) 2-Cyclopentyl-2-Hydroxy-2-Phenylacetate 4-Methylbenzenesulfonate
[CAS# 101710-84-3]

Identification

• Name: (9-Methyl-9-Azoniabicyclo[3.3.1]Nonan-7-Yl) 2-Cyclopentyl-2-Hydroxy-2-Phenylacetate 4-Methylbenzenesulfonate
• Synonyms: (9-Methyl-9-Azoniabicyclo[3.3.1]Nonan-7-Yl) 2-Cyclopentyl-2-Hydroxy-2-Phenyl-Acetate; 4-Methylbenzenesulfonate; 2-Cyclopentyl-2-Hydroxy-2-Phenylacetic Acid (9-Methyl-9-Azoniabicyclo[3.3.1]Nonan-7-Yl) Ester; 4-Methylbenzenesulfonate; 2-Cyclopentyl-2-Hydroxy-2-Phenyl-Acetic Acid (9-Methyl-9-Azoniabicyclo[3.3.1]Nonan-7-Yl) Ester; 4-Methylbenzenesulfonate
• Molecular Formula: C₂₉H₃₉NO₆S
• CAS Registry Number: 101710-84-3
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)C.C5=C(C(O)(C2CCCC2)C(OC3CC4[NH+](C(C3)CCC4)C)=O)C=CC=C5
• InChI: 1S/C22H31NO3.C7H8O3S/c1-23-18-12-7-13-19(23)15-20(14-18)26-21(24)22(25,17-10-5-6-11-17)16-8-3-2-4-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,8-9,17-20,25H,5-7,10-15H2,1H3;2-5H,1H3,(H,8,9,10)
• InChIKey: CEIUXLKAIQCBFX-UHFFFAOYSA-N

Properties

• Boiling point: 490.1°C at 760 mmHg (Cal.)
• Flash point: 250.2°C (Cal.)