Basic information
- CAS
19477-45-3- Standard SMILES
CCOC(=O)c1c(C)nn(Cc2ccccc2)c1OCC[N+](C)(C)C.[I-]- InChIKey
PAKVLLSBOBUJQO-UHFFFAOYSA-M- Molecular formula
- C19H28IN3O3
- Average molar mass
- 473.3 g/mol
- Monoisotopic mass
- 473.11754
Names & identifiers
- Preferred name
- Ammonium, (2-((1-benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethyl-, iodide, ethyl ester
- IUPAC
- 2-(1-benzyl-4-ethoxycarbonyl-3-methylpyrazol-5-yl)oxyethyl-trimethylazanium iodide
Names & synonyms
Ammonium, (2-((1-benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethyl-, iodide, ethyl ester19477-45-3(2-((1-Benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethylammonium iodide ethyl esterRefChem:318695DTXSID309412302-{[1-Benzyl-4-(ethoxycarbonyl)-3-methyl-1H-pyrazol-5-yl]oxy}-N,N,N-trimethylethan-1-aminium iodide
Database identifiers
- CAS
19477-45-3- PubChem CID
- 29630
- DTXSID
DTXSID30941230
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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