Basic information
- CAS
67070-22-8- Standard SMILES
CC1CCCC[NH+]1CCOCCOC(=O)c1ccccc1.[Cl-]- InChIKey
VPAXORMBYQUNRN-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Names & identifiers
- Preferred name
- Benzoic acid, 2-(2-(2-methylpiperidino)ethoxy)ethyl ester, hydrochloride
- IUPAC
- 2-[2-(2-methylpiperidin-1-ium-1-yl)ethoxy]ethyl benzoate chloride
Names & synonyms
BENZOIC ACID, 2-(2-(2-METHYLPIPERIDINO)ETHOXY)ETHYL ESTER, HYDROCHLORIDE67070-22-8RefChem:326744
Database identifiers
- CAS
67070-22-8- PubChem CID
- 49352
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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