Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, acetate (ester)

HCID 48669

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Basic information

CAS: 66967-89-3
Standard SMILES: CC(=O)Oc1cccnc1C[N+](C)(C)C.[Br-]
InChIKey: GEZQJSJCZVPGGG-UHFFFAOYSA-M
Molecular formula: C11H17BrN2O2
Average molar mass: 289.17 g/mol
Monoisotopic mass: 288.04734

Names & identifiers

Preferred name: Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, acetate (ester)
IUPAC: (3-acetyloxy-2-pyridinyl)methyl-trimethylazanium bromide

Names & synonyms

66967-89-3Ro 2-2550((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide acetate (ester)AMMONIUM, ((3-HYDROXY-2-PYRIDYL)METHYL)TRIMETHYL-, BROMIDE, ACETATE (ester)RefChem:318632DTXSID40985721[3-(Acetyloxy)pyridin-2-yl]-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 66967-89-3
PubChem CID: 48669
DTXSID: DTXSID40985721

Properties

Computed structural properties

Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 223

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