Basic information
- CAS
67011-45-4- Standard SMILES
C=CCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
GYUVNAROGRQZBJ-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO3
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.1757714
Names & identifiers
- Preferred name
- Benzoic acid, p-allyloxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-prop-2-enoxybenzoate chloride
Names & synonyms
p-Allyloxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-ALLYLOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67011-45-4RefChem:327856
Database identifiers
- CAS
67011-45-4- PubChem CID
- 48852
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…