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

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Basic information

CAS: 64046-39-5
Standard SMILES: CCCCCc1cc(OC(=O)N(C)C)ccc1[N+](C)(C)C.[I-]
InChIKey: YUBDDSQGOWENSN-UHFFFAOYSA-M
Molecular formula: C17H29IN2O2
Average molar mass: 420.3 g/mol
Monoisotopic mass: 420.12738

Names & identifiers

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

Names & synonyms

TL-1462Ammonium, ((4-(N,N-dimethylcarbamoyloxy)-2-pentyl)phenyl)trimethyl-, iodideCarbamic acid, dimethyl-, ((4-trimethylammonio)-3-pentyl)phenyl ester, iodide64046-39-5Carbamic acid, N,N-dimethyl-, 3-amyl-4-dimethylaminophenyl ester, methiodideAMMONIUM, ((4-HYDROXY-2-PENTYL)PHENYL)TRIMETHYL-, IODIDE, DIMETHYLCARBAMATERefChem:318648DTXSID809821784-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethyl-2-pentylanilinium iodide

Database identifiers

CAS: 64046-39-5
PubChem CID: 46620
DTXSID: DTXSID80982178

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 323

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Compound notes

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