Basic information
- CAS
67032-11-5- Standard SMILES
CC(C)CCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
JIAZWGCNPXWBLA-UHFFFAOYSA-N- Molecular formula
- C21H34ClNO3
- Average molar mass
- 384 g/mol
- Monoisotopic mass
- 383.2227216
Names & identifiers
- Preferred name
- Benzoic acid, p-isopentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride
Names & synonyms
BENZOIC ACID, p-ISOPENTOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67032-11-5RefChem:1079323p-Isopentoxybenzoic acid 3-(2-methylpiperidino)propyl ester, hydrochloride
Database identifiers
- CAS
67032-11-5- PubChem CID
- 48983
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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