Basic information
- CAS
67032-42-2- Standard SMILES
CCCCOc1ccc(C(=O)OC(C)C[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
SQGCSAQJJHIFIN-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO3
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.2070716
Names & identifiers
- Preferred name
- Benzoic acid, p-butoxy-, 1-methyl-2-(2-methylpiperidino)ethyl ester, hydrochloride
- IUPAC
- 1-(2-methylpiperidin-1-ium-1-yl)propan-2-yl 4-butoxybenzoate chloride
Names & synonyms
Benzoic acid, p-butoxy-, 1-methyl-2-(2-methylpiperidino)ethyl ester, hydrochloride67032-42-2RefChem:1079310p-Butoxybenzoic acid 1-methyl-2-(2-methylpiperidino)ethyl ester hydrochloride
Database identifiers
- CAS
67032-42-2- PubChem CID
- 49030
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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