Ammonium, (5-bromo-2-furfuryl)(5-(6-chlorothymyloxy)pentyl)dimethyl-, bromide

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Basic information

CAS: 60724-05-2
Standard SMILES: Cc1ccc(C(C)C)c(OCCCCC[N+](C)(C)Cc2ccc(Br)o2)c1Cl.[Br-]
InChIKey: NPBRJKTWKJZMJP-UHFFFAOYSA-M
Molecular formula: C22H32Br2ClNO2
Average molar mass: 537.8 g/mol
Monoisotopic mass: 535.04883

Names & identifiers

Preferred name: Ammonium, (5-bromo-2-furfuryl)(5-(6-chlorothymyloxy)pentyl)dimethyl-, bromide
IUPAC: (5-bromofuran-2-yl)methyl-[5-(2-chloro-3-methyl-6-propan-2-ylphenoxy)pentyl]-dimethylazanium bromide

Names & synonyms

(5-(6-Chlorothymyloxy)pentyl)dimethyl(5-bromo-2-furfuryl)ammonium bromide60724-05-2AMMONIUM, (5-BROMO-2-FURFURYL)(5-(6-CHLOROTHYMYLOXY)PENTYL)DIMETHYL-, BROMIDERefChem:318942DTXSID60976171N-[(5-Bromofuran-2-yl)methyl]-5-[2-chloro-3-methyl-6-(propan-2-yl)phenoxy]-N,N-dimethylpentan-1-aminium bromide

Database identifiers

CAS: 60724-05-2
PubChem CID: 43433
DTXSID: DTXSID60976171

Properties

Computed structural properties

Topological polar surface area: 22.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 435

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Compound notes

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