Basic information
- CAS
101710-88-7- Standard SMILES
C[NH+]1CC=C(CCOC(=O)C(O)(c2ccccc2)C2CCCC2)CC1.[Cl-]- InChIKey
UGBNZJIOJOHWSG-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO3
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.1914215
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopentyl-, 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester, hydrochloride
- IUPAC
- 2-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-88-7Mandelic acid, alpha-cyclopentyl-, 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester, hydrochlorideRefChem:1088812alpha-Cyclopentylmandelic acid 2-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)ethyl ester HCl2-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride2-(1-methyl-5,6-dihydro-2H-pyridin-4-yl)ethyl 2-cyclopentyl-2-hydroxy- 2-phenyl-acetate chloride
Database identifiers
- CAS
101710-88-7- PubChem CID
- 58792
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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