Benzoic acid, p-(4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
Basic information
- CAS
22344-59-8- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(C/C=C/C[NH+]2CCCCC2)cc1.[Cl-].[Cl-]- InChIKey
RUBJWZSIJWPEAJ-SWSRPJROSA-N- Molecular formula
- C22H36Cl2N2O2
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 430.2153838
Names & identifiers
- Preferred name
- Benzoic acid, p-(4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
- IUPAC
- diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride
Names & synonyms
Benzoic acid, p-(4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride22344-59-8RefChem:1079240p-(4-Piperidino-2-butenyl)benzoic acid (2-(diethylamino)ethyl) ester dihydrochloride
Database identifiers
- CAS
22344-59-8- PubChem CID
- 6433802
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 406
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