Basic information
- CAS
67032-40-0- Standard SMILES
CCCCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)c(O)c1.[Cl-]- InChIKey
BCHCEGCHJSBTIW-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO4
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.2019862
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-butoxy-2-hydroxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxy-2-hydroxybenzoate chloride
Names & synonyms
67032-40-0DTXSID309859773-(2-Methylpiperidin-1-yl)propyl 4-butoxy-2-hydroxybenzoate--hydrogen chloride (1/1)RefChem:1066583DTXCID7014131664-Butoxy-2-hydroxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBenzoic acid, 4-butoxy-2-hydroxy-, 3-(2-methylpiperino)propyl ester, hydrochloride
Database identifiers
- CAS
67032-40-0- PubChem CID
- 49026
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…