Basic information
- CAS
67049-48-3- Standard SMILES
CCCCCCCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
LIXPWWBGTWQDJO-UHFFFAOYSA-N- Molecular formula
- C23H38ClNO3
- Average molar mass
- 412 g/mol
- Monoisotopic mass
- 411.2540218
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-(heptyloxy)benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-heptoxybenzoate chloride
Names & synonyms
67049-48-3DTXSID109859953-(2-Methylpiperidin-1-yl)propyl 4-(heptyloxy)benzoate--hydrogen chloride (1/1)RefChem:1066576DTXCID501413184p-Heptyloxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-HEPTYLOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67049-48-3- PubChem CID
- 49063
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…