Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide
Basic information
- CAS
2110-54-5- Standard SMILES
C[N+]1(CC#CC(O)(c2ccccc2)c2ccccn2)CCCCC1.[Br-]- InChIKey
MDMZSLREGOUIFR-UHFFFAOYSA-M- Molecular formula
- C21H25BrN2O
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 400.11503
Names & identifiers
- Preferred name
- Piperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromide
- IUPAC
- 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-ylbut-2-yn-1-ol bromide
Names & synonyms
2110-54-51-(4-Hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methylpiperidinium bromidePiperidinium, 1-(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)-1-methyl-, bromideRefChem:373452DTXSID209434251-[4-Hydroxy-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-yl]-1-methylpiperidin-1-ium bromide
Database identifiers
- CAS
2110-54-5- PubChem CID
- 200472
- DTXSID
DTXSID20943425
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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