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

HCID 47267

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Basic information

CAS: 64070-76-4
Standard SMILES: CCCCCCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C.[I-]
InChIKey: GHRPDCRUAUNDHO-UHFFFAOYSA-M
Molecular formula: C18H31IN2O2
Average molar mass: 434.4 g/mol
Monoisotopic mass: 434.14303

Names & identifiers

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

Names & synonyms

TL-1463Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-hexyl)phenyl)trimethyl-, iodideCarbamic acid, dimethyl-, ((4-trimethylammonio)-3-hexyl)phenyl ester, iodide64070-76-4Carbamic acid, N,N-dimethyl-, 3-hexyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((4-HYDROXY-2-HEXYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318647DTXSID909825634-[(DIMETHYLCARBAMOYL)OXY]-2-HEXYL-N,N,N-TRIMETHYLANILINIUM IODIDE

Database identifiers

CAS: 64070-76-4
PubChem CID: 47267
DTXSID: DTXSID90982563

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 336

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