Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, (E)-, iodide

HCID 35828

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Basic information

CAS: 31509-25-8
Standard SMILES: C[C@H]1Oc2c(cccc2[N+](C)(C)C)[C@@H]1O.[I-]
InChIKey: DSMHEOTTYPTFBH-JHQAJZDGSA-M
Molecular formula: C12H18INO2
Average molar mass: 335.18 g/mol
Monoisotopic mass: 335.03823

Names & identifiers

Preferred name: Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, (E)-, iodide
IUPAC: [(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]-trimethylazanium iodide

Names & synonyms

Ammonium, (2,3-dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethyl-, (E)-, iodide31509-25-8RefChem:1076692trans-(2,3-Dihydro-3-hydroxy-2-methyl-7-benzofuranyl)trimethylammonium iodide

Database identifiers

CAS: 31509-25-8
PubChem CID: 35828

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 236

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