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3-Methyl-2-(2-oxopropyl)isoquinolinium bromide

ChemSpider ID: 2105050
Molecular Formula: C₁₃H₁₄BrNO
Average mass: 280.1604 Da
Monoisotopic mass: 279.025879 Da
Systematic name

3-Methyl-2-(2-oxopropyl)isoquinolinium bromide
SMILES and InChIs

SMILES:

[Br-].O=C(C)C[n+]2cc1ccccc1cc2C Copied

Std. InChI:

InChI=1S/C13H14NO.BrH/c1-10-7-12-5-3-4-6-13(12)9-14(10)8-11(2)15;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1 Copied

Std. InChIKey:

QESCLFUJGZRYHJ-UHFFFAOYSA-M Copied
Cite this record
CSID:2105050, http://www.chemspider.com/Chemical-Structure.2105050.html (accessed 00:08, May 25, 2012) Copied

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

3-methyl-2-(2-oxopropyl)isoquinolinium 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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