Basic information
- CAS
62988-55-0- Standard SMILES
CCCCCCCCCCOC(=O)C[N+]1(C/C=C(\C)Cc2ccc(C)cc2C)CCCCC1.[Cl-]- InChIKey
APDNYYOSPFWIOV-ZEJCXCISSA-M- Molecular formula
- C30H50ClNO2
- Average molar mass
- 492.2 g/mol
- Monoisotopic mass
- 491.3530075
Names & identifiers
- Preferred name
- Piperidinium, 1-(carboxymethyl)-1-(3-(2,4-dimethylbenzyl)-2-butenyl)-, chloride, decyl ester
- IUPAC
- decyl 2-[1-[(E)-4-(2,4-dimethylphenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Names & synonyms
Piperidinium, 1-(carboxymethyl)-1-(3-(2,4-dimethylbenzyl)-2-butenyl)-, chloride, decyl ester62988-55-0RefChem:10963151-(Decyloxycarbonylmethyl)-1-(3-(2,4-dimethylbenzyl)-2-butenyl)piperidinium chloride
Database identifiers
- CAS
62988-55-0- PubChem CID
- 6446599
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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