Basic information
- CAS
101756-45-0- Standard SMILES
C[NH+]1CCC(OC(=O)C(O)(Cc2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
PRIQZSULWYRHSK-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO3
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1601214
Names & identifiers
- Preferred name
- Mandelic acid, alpha-benzyl-, 1-methyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-methylpiperidin-1-ium-4-yl) 2-hydroxy-2,3-diphenylpropanoate chloride
Names & synonyms
101756-45-0MANDELIC ACID, alpha-BENZYL-, 1-METHYL-4-PIPERIDYL ESTER, HYDROCHLORIDERefChem:10888081-Methyl-4-piperidyl benzylphenylglycolate hydrochloridealpha-Benzylmandelic acid 1-methyl-4-piperidyl ester hydrochloride
Database identifiers
- CAS
101756-45-0- PubChem CID
- 58867
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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