Piperidinium, 1-(2-methyl-5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenyl-, chloride, hydrate
Basic information
- CAS
23996-82-9- Standard SMILES
CC(=CC=CN1CCC(c2ccccc2)CC1)C=[N+]1CCC(c2ccccc2)CC1.[Cl-]- InChIKey
ZWGAOFFHPFTCFP-UHFFFAOYSA-M- Molecular formula
- C28H35ClN2
- Average molar mass
- 435 g/mol
- Monoisotopic mass
- 434.2488768
Names & identifiers
- Preferred name
- Piperidinium, 1-(2-methyl-5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenyl-, chloride, hydrate
- IUPAC
- 1-[4-methyl-5-(4-phenylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]-4-phenylpiperidine chloride
Names & synonyms
23996-82-9Piperidinium, 1-(2-methyl-5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenyl-, chloride, hydrateRefChem:373445
Database identifiers
- CAS
23996-82-9- PubChem CID
- 91107
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
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Compound notes
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