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N-[(5-Bromo-2-furyl)methyl]-4-(2-chloro-6-isopropyl-3-methylphenoxy)-N,N-dimethyl-1-butanaminium bromide

ChemSpider ID: 39578
Molecular Formula: C₂₁H₃₀Br₂ClNO₂
Average mass: 523.72937 Da
Monoisotopic mass: 521.033142 Da
Systematic name

N-[(5-Bromo-2-furyl)methyl]-4-(2-chloro-6-isopropyl-3-methylphenoxy)-N,N-dimethyl-1-butanaminium bromide
SMILES and InChIs

SMILES:

[Br-].Brc1oc(cc1)C[N+](C)(CCCCOc2c(ccc(c2Cl)C)C(C)C)C Copied

Std. InChI:

InChI=1S/C21H30BrClNO2.BrH/c1-15(2)18-10-8-16(3)20(23)21(18)25-13-7-6-12-24(4,5)14-17-9-11-19(22)26-17;/h8-11,15H,6-7,12-14H2,1-5H3;1H/q+1;/p-1 Copied

Std. InChIKey:

AFLXICPWIWAGQQ-UHFFFAOYSA-M Copied
Cite this record
CSID:39578, http://www.chemspider.com/Chemical-Structure.39578.html (accessed 19:06, May 21, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(4-(6-Chlorothymyloxy)butyl)dimethyl(5-bromo-2-furfuryl)ammonium bromide

60723-99-1 [RN]

Ammonium, (5-bromo-2-furfuryl)(4-(6-chlorothymyloxy)butyl)dimethyl-, bromide

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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