Basic information
- CAS
67032-45-5- Standard SMILES
CCCCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
JWLQUBHYSIQFTM-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO3
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.2070716
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride
Names & synonyms
67032-45-5DTXSID809859823-(2-Methylpiperidin-1-yl)propyl 4-butoxybenzoate--hydrogen chloride (1/1)RefChem:1066584DTXCID801413171p-Butoxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideC-10BENZOIC ACID, p-BUTOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-45-5- PubChem CID
- 49036
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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