Basic information
- CAS
101710-85-4- Standard SMILES
C[NH+]1CCCCC1COC(=O)C(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
NCLMRAWSZYENDH-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- (1-Methylpiperidin-2-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1-methylpiperidin-1-ium-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-85-4DTXSID10906544(1-Methylpiperidin-2-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1049283DTXCID7013356412-(1-Methylpiperidine)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochlorideMandelic acid, alpha-cyclopentyl-, (1-methyl-2-piperidyl) methyl ester, hydrochloride
Database identifiers
- CAS
101710-85-4- PubChem CID
- 58786
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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