Ammonium, (3-hydroxy-2-pyridyl)methyltrimethyl-, bromide, diisopropylcarbamate (ester)

HCID 48673

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 66967-91-7
Standard SMILES: CC(C)N(C(=O)Oc1cccnc1C[N+](C)(C)C)C(C)C.[Br-]
InChIKey: XICFAMHOMSQVHB-UHFFFAOYSA-M
Molecular formula: C16H28BrN3O2
Average molar mass: 374.32 g/mol
Monoisotopic mass: 373.13649

Names & identifiers

Preferred name: Ammonium, (3-hydroxy-2-pyridyl)methyltrimethyl-, bromide, diisopropylcarbamate (ester)
IUPAC: [3-[di(propan-2-yl)carbamoyloxy]-2-pyridinyl]methyl-trimethylazanium bromide

Names & synonyms

Ro 2-204366967-91-7(3-Hydroxy-2-pyridyl)methyltrimethylammonium bromide diisopropylcarbamate (ester)Ammonium, (3-hydroxy-2-pyridyl)methyltrimethyl-, bromide, diisopropylcarbamate (ester)RefChem:318858DTXSID60985723(3-{[Di(propan-2-yl)carbamoyl]oxy}pyridin-2-yl)-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 66967-91-7
PubChem CID: 48673
DTXSID: DTXSID60985723

Properties

Computed structural properties

Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 329

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…