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

HCID 48671

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Basic information

CAS: 66967-90-6
Standard SMILES: C[N+](C)(C)Cc1ncccc1OC(=O)c1ccccc1.[Br-]
InChIKey: PVGLPFPBVIFOSB-UHFFFAOYSA-M
Molecular formula: C16H19BrN2O2
Average molar mass: 351.24 g/mol
Monoisotopic mass: 350.06299

Names & identifiers

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

Names & synonyms

66967-90-6Ro 2-2817((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide benzoate (ester)AMMONIUM, ((3-HYDROXY-2-PYRIDYL)METHYL)TRIMETHYL-, BROMIDE, BENZOATE (ester)RefChem:318633DTXSID00985722[3-(Benzoyloxy)pyridin-2-yl]-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 66967-90-6
PubChem CID: 48671
DTXSID: DTXSID00985722

Properties

Computed structural properties

Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 319

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