Basic information
- CAS
101710-79-6- Standard SMILES
CC1C[NH+](C)CCC1OC(=O)C(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
RMDPHNMFYDYHDP-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopentyl-, 1,3-dimethyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1,3-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-79-6MANDELIC ACID, alpha-CYCLOPENTYL-, 1,3-DIMETHYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:10888111,3-Dimethyl-4-piperidyl phenylcyclopentylglycolate hydrochloridealpha-Cyclopentylmandelic acid 1,3-dimethyl-4-piperidyl ester hydrochloride(1,3-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride
Database identifiers
- CAS
101710-79-6- PubChem CID
- 58778
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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