Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, dimethylcarbamate

HCID 45973

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Basic information

CAS: 63981-59-9
Standard SMILES: CN(C)C(=O)Oc1ccc([N+](C)(C)C)c(C2CCCC2)c1.[I-]
InChIKey: HCNWLSFZJSNPBB-UHFFFAOYSA-M
Molecular formula: C17H27IN2O2
Average molar mass: 418.3 g/mol
Monoisotopic mass: 418.11173

Names & identifiers

Preferred name: Ammonium, ((4-hydroxy-2-cyclopentyl)phenyl)trimethyl-, iodide, dimethylcarbamate
IUPAC: [2-cyclopentyl-4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium iodide

Names & synonyms

TL-1417Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-cyclopentyl)phenyl)trimethyl-, iodideCarbamic acid, dimethyl-, ((4-trimethylammonio)-3-cyclopentyl)phenyl ester, iodide63981-59-9AMMONIUM, ((4-HYDROXY-2-CYCLOPENTYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATECarbamic acid, N,N-dimethyl-, 3-cyclopentyl-4-dimethylaminophenyl ester, methiodideRefChem:318642DTXSID209816252-cyclopentyl-4-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium iodide

Database identifiers

CAS: 63981-59-9
PubChem CID: 45973
DTXSID: DTXSID20981625

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 356

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