Ammonium, diethylmethyl((3-((o-tolyloxy)methyl)-3-oxetanyl)methyl)-, bromide

HCID 199023

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Basic information

CAS: 3635-73-2
Standard SMILES: CC[N+](C)(CC)CC1(COc2ccccc2C)COC1.[Br-]
InChIKey: LDOLRLBRKCVSAN-UHFFFAOYSA-M
Molecular formula: C17H28BrNO2
Average molar mass: 358.3 g/mol
Monoisotopic mass: 357.13034

Names & identifiers

Preferred name: Ammonium, diethylmethyl((3-((o-tolyloxy)methyl)-3-oxetanyl)methyl)-, bromide
IUPAC: diethyl-methyl-[[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methyl]azanium bromide

Names & synonyms

H.C. 60153635-73-2Diethylmethyl((3-((o-tolyloxy)methyl)-3-oxetanyl)methyl)ammonium bromideAmmonium, diethylmethyl((3-((o-tolyloxy)methyl)-3-oxetanyl)methyl)-, bromideRefChem:319263DTXSID60957687N-Ethyl-N-methyl-N-({3-[(2-methylphenoxy)methyl]oxetan-3-yl}methyl)ethanaminium bromide

Database identifiers

CAS: 3635-73-2
PubChem CID: 199023
DTXSID: DTXSID60957687

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: 297

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