Basic information
- CAS
67031-74-7- Standard SMILES
CCCC1CCCC[NH+]1CCCOC(=O)c1ccccc1.[Cl-]- InChIKey
VRCWRCQZXMUUBX-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2-propylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-propylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
BENZOIC ACID, 3-(2-PROPYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67031-74-7RefChem:1079060gamma-2-Propylpiperidinopropylbenzoate hydrochloride
Database identifiers
- CAS
67031-74-7- PubChem CID
- 48934
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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