Piperidinium, 1-(3-chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester
Basic information
- CAS
57757-54-7- Standard SMILES
CCCCCCCCCCOC(=O)C[N+]1(C/C=C(\Cl)Cc2ccccc2)CCCCC1.[Cl-]- InChIKey
RFYLQLTWNLGMMQ-ZVOSEVRTSA-M- Molecular formula
- C27H43Cl2NO2
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 483.267085
Names & identifiers
- Preferred name
- Piperidinium, 1-(3-chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester
- IUPAC
- decyl 2-[1-[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Names & synonyms
Piperidinium, 1-(3-chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester57757-54-7RefChem:10963051-(3-Chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)piperidinium chloride decyl ester
Database identifiers
- CAS
57757-54-7- PubChem CID
- 6446360
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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