Basic information
- CAS
101711-01-7- Standard SMILES
CC(C)C(O)(C(=O)OCC1=CCC[NH+](C)C1)c1ccccc1.[Cl-]- InChIKey
PRIXSTVGPLZOTP-UHFFFAOYSA-N- Molecular formula
- C18H26ClNO3
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1601214
Names & identifiers
- Preferred name
- (1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)
- IUPAC
- (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride
Names & synonyms
101711-01-7DTXSID00906558(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate--hydrogen chloride (1/1)RefChem:1049273DTXCID101335655Mandelic acid, alpha-isopropyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester, hydrochloride(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate;chloride3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl isopropylphenylglycolate hydrochloride
Database identifiers
- CAS
101711-01-7- PubChem CID
- 58809
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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