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

HCID 19641

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Basic information

CAS: 3804-66-8
Standard SMILES: CC[N+](C)(CC)CC1(COc2ccc(Cl)cc2)COC1.[Br-]
InChIKey: QUCTZNQJRSLAEE-UHFFFAOYSA-M
Molecular formula: C16H25BrClNO2
Average molar mass: 378.7 g/mol
Monoisotopic mass: 377.07572

Names & identifiers

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

Names & synonyms

HC 60093804-66-8((3-((p-Chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethylammonium bromideAmmonium, ((3-((p-chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethyl-, bromide3-Oxetanemethanaminium, 3-((4-chlorophenoxy)methyl)-N,N-diethyl-N-methyl-, bromideRefChem:3186283-Oxetanemethanaminium, 3-((4-chlorophenoxy)methyl)-N,N-diethyl-N-methyl-, bromide (9CI)DTXSID40959003N-({3-[(4-Chlorophenoxy)methyl]oxetan-3-yl}methyl)-N-ethyl-N-methylethanaminium bromide

Database identifiers

CAS: 3804-66-8
PubChem CID: 19641
DTXSID: DTXSID40959003

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 295

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