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

HCID 47022

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Basic information

CAS: 64050-85-7
Standard SMILES: CCCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C.[I-]
InChIKey: LLFZYKXJSAHPQD-UHFFFAOYSA-M
Molecular formula: C15H25IN2O2
Average molar mass: 392.28 g/mol
Monoisotopic mass: 392.09608

Names & identifiers

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

Names & synonyms

TL-1460Carbamic acid, dimethyl-, ((4-trimethylammonio)-3-propyl)phenyl ester, iodide64050-85-7Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-propyl)phenyl)trimethyl-, iodideCarbamic acid, N,N-dimethyl-, 3-propyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((4-HYDROXY-2-PROPYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318650DTXSID009824184-[(dimethylcarbamoyl)oxy]-N,N,N-trimethyl-2-propylanilinium iodide

Database identifiers

CAS: 64050-85-7
PubChem CID: 47022
DTXSID: DTXSID00982418

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 297

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