Basic information
- CAS
5509-29-5- Standard SMILES
Cc1cc(OCC[N+](C)(C)C)n(-c2ccccc2)n1.[I-]- InChIKey
VGZNKGCKNHIKBW-UHFFFAOYSA-M- Molecular formula
- C15H22IN3O
- Average molar mass
- 387.26 g/mol
- Monoisotopic mass
- 387.08076
Names & identifiers
- Preferred name
- Ammonium, (2-(3-methyl-1-phenyl-5-pyrazolyloxy)ethyl)trimethyl-, iodide
- IUPAC
- trimethyl-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl]azanium iodide
Names & synonyms
5509-29-5(2-(3-Methyl-1-phenyl-5-pyrazolyloxy)ethyl)trimethylammonium iodideP-325AMMONIUM, (2-(3-METHYL-1-PHENYL-5-PYRAZOLYLOXY)ETHYL)TRIMETHYL-, IODIDERefChem:318745DTXSID10970447N,N,N-Trimethyl-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy]ethan-1-aminium iodide
Database identifiers
- CAS
5509-29-5- PubChem CID
- 21683
- DTXSID
DTXSID10970447
Properties
Computed structural properties
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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