Basic information
- CAS
63981-73-7- Standard SMILES
CCc1cc(OC(=O)N2CCCCC2)ccc1[N+](C)(C)C.[I-]- InChIKey
UCQKVCYFBPVXLY-UHFFFAOYSA-M- Molecular formula
- C17H27IN2O2
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.11173
Names & identifiers
- Preferred name
- Ammonium, ((4-hydroxy-2-ethyl)phenyl)trimethyl-, iodide, 1-piperidinecarboxylate
- IUPAC
- [2-ethyl-4-(piperidine-1-carbonyloxy)phenyl]-trimethylazanium iodide
Names & synonyms
TL-14131-Piperidinecarboxylic acid, (4-(trimethylammonio)-3-ethyl)phenyl ester, iodide63981-73-7Ammonium, ((4-(piperidinocarbonyloxy)-2-ethyl)phenyl)trimethyl-, iodideAMMONIUM, ((4-HYDROXY-2-ETHYL)PHENYL)TRIMETHYL-, IODIDE, 1-PIPERIDINECARBOXYLATECarbamic acid, N,N-pentamethylene-, 3-ethyl-4-dimethylaminophenyl ester, methiodideRefChem:318644DTXSID109816392-Ethyl-N,N,N-trimethyl-4-[(piperidine-1-carbonyl)oxy]anilinium iodide
Database identifiers
- CAS
63981-73-7- PubChem CID
- 45997
- DTXSID
DTXSID10981639
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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