Ammonium, (6-hydroxythymyl)trimethyl-, iodide, 1-piperidinecarboxylate
Basic information
- CAS
64050-92-6- Standard SMILES
Cc1ccc(C(C)C)c([N+](C)(C)C)c1OC(=O)N1CCCCC1.[I-]- InChIKey
IECSWMQZOYPRSD-UHFFFAOYSA-M- Molecular formula
- C19H31IN2O2
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.14303
Names & identifiers
- Preferred name
- Ammonium, (6-hydroxythymyl)trimethyl-, iodide, 1-piperidinecarboxylate
- IUPAC
- trimethyl-[3-methyl-2-(piperidine-1-carbonyloxy)-6-propan-2-ylphenyl]azanium iodide
Names & synonyms
TL-7771-Piperidinecarboxylic acid, 5-(trimethylammonio)carvacryl ester, iodide64050-92-6Ammonium, (6-(piperidinocarbonyloxy)thymyl)trimethyl-, iodideAMMONIUM, (6-HYDROXYTHYMYL)TRIMETHYL-, IODIDE, 1-PIPERIDINECARBOXYLATECarbamic acid, N,N-pentamethylene-, 4-dimethylaminocarvacryl ester, methiodideRefChem:318962DTXSID70982425N,N,N,3-Tetramethyl-2-[(piperidine-1-carbonyl)oxy]-6-(propan-2-yl)anilinium iodide
Database identifiers
- CAS
64050-92-6- PubChem CID
- 47036
- DTXSID
DTXSID70982425
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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