Basic information
- CAS
101756-55-2- Standard SMILES
CC1=CC[NH+](C)CC1COC(=O)C(O)(c1ccccc1)C1CCC1.[Cl-]- InChIKey
QYUMWZNOKQMUPH-UHFFFAOYSA-N- Molecular formula
- C20H28ClNO3
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1757714
Names & identifiers
- Preferred name
- (1,4-Dimethyl-1,2,3,6-tetrahydropyridin-3-yl)methyl cyclobutyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101756-55-2DTXSID50906604(1,4-Dimethyl-1,2,3,6-tetrahydropyridin-3-yl)methyl cyclobutyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1049223DTXCID801335701Mandelic acid, alpha-cyclobutyl-, 1,4-dimethyl-1,2,3,6-tetrahydro-3-pyridylmethyl ester, hydrochloride
Database identifiers
- CAS
101756-55-2- PubChem CID
- 58878
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
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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