Basic information
- CAS
67049-53-0- Standard SMILES
CC1CC[NH+](CCCOC(=O)c2ccccc2O)C(C)C1.[Cl-]- InChIKey
FQQGHPXJGPPJMN-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Names & identifiers
- Preferred name
- Benzoic acid, o-hydroxy-, 3-(2,4-dimethylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2,4-dimethylpiperidin-1-ium-1-yl)propyl 2-hydroxybenzoate chloride
Names & synonyms
BENZOIC ACID, o-HYDROXY-, 3-(2,4-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67049-53-0RefChem:1079225o-Hydroxybenzoic acid 3-(2,4-dimethylpiperidino)propyl ester hydrochloride
Database identifiers
- CAS
67049-53-0- PubChem CID
- 49070
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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