Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide

HCID 19946

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Basic information

CAS: 4034-04-2
Standard SMILES: C[N+](C)(C)CC1(COc2ccc(Cl)cc2)COC1.[Br-]
InChIKey: BNRSYHZCAVBITF-UHFFFAOYSA-M
Molecular formula: C14H21BrClNO2
Average molar mass: 350.68 g/mol
Monoisotopic mass: 349.04442

Names & identifiers

Preferred name: Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide
IUPAC: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide

Names & synonyms

H.C. 6007((3-((p-Chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethylammonium bromide4034-04-2Ammonium, ((3-((p-chlorophenoxy)methyl)-3-oxetany)methyl)trimethyl-, bromideAMMONIUM, ((3-((p-CHLOROPHENOXY)METHYL)-3-OXETANYL)METHYL)TRIMETHYL-, BROMIDERefChem:318629DTXSID30960764{3-[(4-chlorophenoxy)methyl]oxetan-3-yl}-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 4034-04-2
PubChem CID: 19946
DTXSID: DTXSID30960764

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 265

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