(3-(p-Fluorophenyl)-3-hydroxy-5-hexenyl)trimethylammonium iodide

HCID 9670

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Basic information

CAS: 360-15-6
Standard SMILES: C=CCC(O)(CC[N+](C)(C)C)c1ccc(F)cc1.[I-]
InChIKey: AGGMUSOQGFMDNH-UHFFFAOYSA-M
Molecular formula: C15H23FINO
Average molar mass: 379.25 g/mol
Monoisotopic mass: 379.08084

Names & identifiers

Preferred name: (3-(p-Fluorophenyl)-3-hydroxy-5-hexenyl)trimethylammonium iodide
IUPAC: [3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylazanium iodide

Names & synonyms

(3-(p-Fluorophenyl)-3-hydroxy-5-hexenyl)trimethylammonium iodideDTXSID3027449937243-71-3RefChem:1050076DTXCID60225974360-15-63-(4-fluorophenyl)-3-hydroxy-n,n,n-trimethylhex-5-en-1-aminium iodideDTXSID60957420AMMONIUM, (3-(p-FLUOROPHENYL)-3-HYDROXY-5-HEXENYL)TRIMETHYL-, IODIDEBenzenepropanaminium, 4-fluoro-gamma-hydroxy-N,N,N-trimethyl-gamma-2-propenyl-, iodide

Database identifiers

CAS: 360-15-6、37243-71-3
PubChem CID: 9670
DTXSID: DTXSID30274499

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 266

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