Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, chloride, hydrate
Basic information
- CAS
23996-77-2- Standard SMILES
CC(=CC=CN1CCCCC1)C=[N+]1CCCCC1.[Cl-]- InChIKey
ATDJBVLEABOLOI-UHFFFAOYSA-M- Molecular formula
- C16H27ClN2
- Average molar mass
- 282.9 g/mol
- Monoisotopic mass
- 282.1862766
Names & identifiers
- Preferred name
- Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, chloride, hydrate
- IUPAC
- 1-(4-methyl-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine chloride
Names & synonyms
1-(2-Methyl-5-piperidino-2,4-pentadienylidene)piperidinium chloride hydratePiperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, chloride, hydrate23996-77-2RefChem:373446
Database identifiers
- CAS
23996-77-2- PubChem CID
- 91105
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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