Basic information
- CAS
101711-03-9- Standard SMILES
CC(C)C(O)(C(=O)OCC1CC2CC[NH+]1CC2)c1ccccc1.[Cl-]- InChIKey
XMCKOTGZIXIRCY-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO3
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.1757714
Names & identifiers
- Preferred name
- Mandelic acid, alpha-isopropyl-, 2-quinuclidinylmethyl ester, hydrochloride
- IUPAC
- 1-azoniabicyclo[2.2.2]octan-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
Names & synonyms
101711-03-92-Quinuclidinemethylene-alpha-isopropyl-alpha-phenylglycolate hydrochlorideMANDELIC ACID, alpha-ISOPROPYL-, 2-QUINUCLIDINYLMETHYL ESTER, HYDROCHLORIDERefChem:351935
Database identifiers
- CAS
101711-03-9- PubChem CID
- 58812
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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