Piperidinium, 1-methyl-1-((3-oxo-6-phenyl-2-pyridazinyl)methyl)-, bromide
Basic information
- CAS
35451-75-3- Standard SMILES
C[N+]1(Cn2nc(-c3ccccc3)ccc2=O)CCCCC1.[Br-]- InChIKey
KZCIXXSYBQGJPA-UHFFFAOYSA-M- Molecular formula
- C17H22BrN3O
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.09462
Names & identifiers
- Preferred name
- Piperidinium, 1-methyl-1-((3-oxo-6-phenyl-2-pyridazinyl)methyl)-, bromide
- IUPAC
- 2-[(1-methylpiperidin-1-ium-1-yl)methyl]-6-phenylpyridazin-3-one bromide
Names & synonyms
35451-75-3N-Methyl-N-((3-oxo-6-phenyl-2-pyridazinyl)methyl)piperidinium bromide3(2H)-Pyridazinone, 6-phenyl-2-(piperidinomethyl)-, methylbromidePiperidinium, 1-methyl-1-((3-oxo-6-phenyl-2-pyridazinyl)methyl)-, bromideRefChem:373483DTXSID909568601-Methyl-1-[(6-oxo-3-phenylpyridazin-1(6H)-yl)methyl]piperidin-1-ium bromide
Database identifiers
- CAS
35451-75-3- PubChem CID
- 215321
- DTXSID
DTXSID90956860
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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