Ammonium, (3-hydroxy-p-tolyl)trimethyl-, iodide, 1-piperidinecarboxylate
Basic information
- CAS
64050-13-1- Standard SMILES
Cc1ccc([N+](C)(C)C)cc1OC(=O)N1CCCCC1.[I-]- InChIKey
PMKCMZNOBPQKAK-UHFFFAOYSA-M- Molecular formula
- C16H25IN2O2
- Average molar mass
- 404.29 g/mol
- Monoisotopic mass
- 404.09608
Names & identifiers
- Preferred name
- Ammonium, (3-hydroxy-p-tolyl)trimethyl-, iodide, 1-piperidinecarboxylate
- IUPAC
- trimethyl-[4-methyl-3-(piperidine-1-carbonyloxy)phenyl]azanium iodide
Names & synonyms
TL-1300Ammonium, (3-piperidinocarbonyloxy-p-tolyl)trimethyl-, iodide1-Piperidinecarboxylic acid, (2-methyl-5-trimethylammonio)phenyl ester, iodide64050-13-1AMMONIUM, (3-HYDROXY-p-TOLYL)TRIMETHYL-, IODIDE, 1-PIPERIDINECARBOXYLATECarbamic acid, N,N-pentamethylene-, 2-methyl-5-dimethylaminophenyl ester, methiodideRefChem:318871DTXSID30982385N,N,N,4-Tetramethyl-3-[(piperidine-1-carbonyl)oxy]anilinium iodide
Database identifiers
- CAS
64050-13-1- PubChem CID
- 46984
- DTXSID
DTXSID30982385
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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