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

HCID 48677

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Basic information

CAS: 66967-93-9
Standard SMILES: C[N+](C)(C)Cc1ncccc1OC(=O)C(c1ccccc1)c1ccccc1.[Br-]
InChIKey: GKXBZCLFXGSPMX-UHFFFAOYSA-M
Molecular formula: C23H25BrN2O2
Average molar mass: 441.4 g/mol
Monoisotopic mass: 440.10994

Names & identifiers

Preferred name: Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, diphenylacetate (ester)
IUPAC: [3-(2,2-diphenylacetyl)oxy-2-pyridinyl]methyl-trimethylazanium bromide

Names & synonyms

Ro 2-312866967-93-9Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, diphenylacetate (ester)((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide diphenylacetate (ester)RefChem:318635DTXSID80985725{3-[(Diphenylacetyl)oxy]pyridin-2-yl}-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 66967-93-9
PubChem CID: 48677
DTXSID: DTXSID80985725

Properties

Computed structural properties

Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 443

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