Basic information
- CAS
67031-97-4- Standard SMILES
CCCCCC1CCCC[NH+]1CCCOC(=O)c1ccccc1.[Cl-]- InChIKey
GFJMMUJLCRWBNW-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.212157
Names & identifiers
- Preferred name
- 3-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-pentylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
67031-97-4DTXSID009859443-(2-Pentylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1066616DTXCID801413133BENZOIC ACID, 3-(2-PENTYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-97-4- PubChem CID
- 48966
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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