Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate

HCID 45969

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Basic information

CAS: 63981-57-7
Standard SMILES: CC(C)c1cc(OC(=O)N2CCCCC2)ccc1[N+](C)(C)C.[I-]
InChIKey: VJBKYGFXMLOQSZ-UHFFFAOYSA-M
Molecular formula: C18H29IN2O2
Average molar mass: 432.3 g/mol
Monoisotopic mass: 432.12738

Names & identifiers

Preferred name: Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate
IUPAC: trimethyl-[4-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium iodide

Names & synonyms

TL-14141-Piperidinecarboxylic acid, 4-(trimethylammonio)-m-cumenyl ester, iodide63981-57-7Ammonium, (4-(piperidinocarbonyloxy)-o-cumenyl)trimethyl-, iodideAMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, IODIDE, 1-PIPERIDINECARBOXYLATECarbamic acid, N,N-pentamethylene-, 3-isopropyl-4-dimethylaminophenyl ester, methiodideRefChem:318923DTXSID00981623N,N,N-Trimethyl-4-[(piperidine-1-carbonyl)oxy]-2-(propan-2-yl)anilinium iodide

Database identifiers

CAS: 63981-57-7
PubChem CID: 45969
DTXSID: DTXSID00981623

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 370

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