Basic information
- CAS
67031-66-7- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)c1ccc(Oc2ccccc2)cc1.[Cl-]- InChIKey
YZUVHOBGEOSTLE-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1757714
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-phenoxybenzoate chloride
Names & synonyms
67031-66-7DTXSID709859313-(2-Methylpiperidin-1-yl)propyl 4-phenoxybenzoate--hydrogen chloride (1/1)RefChem:1066595DTXCID101413120p-Phenoxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-PHENOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-66-7- PubChem CID
- 48927
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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