Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
Basic information
- CAS
22344-60-1- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(C/C(C)=C/C[NH+]2CCCCC2)cc1.[Cl-].[Cl-]- InChIKey
QNMSXBHHOLPRJV-KMLWPLPUSA-N- Molecular formula
- C23H38Cl2N2O2
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 444.2310338
Names & identifiers
- Preferred name
- Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
- IUPAC
- diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride
Names & synonyms
22344-60-1Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochlorideRefChem:1079230
Database identifiers
- CAS
22344-60-1- PubChem CID
- 6433804
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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