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(7-Hydroxy-2-oxo-4-propyl-2H-chromen-8-yl)-N,N-dimethylmethanaminium nicotinate

ChemSpider ID: 4514487
Molecular Formula: C₂₁H₂₄N₂O₅
Average mass: 384.42569 Da
Monoisotopic mass: 384.168518 Da
Systematic name

(7-Hydroxy-2-oxo-4-propyl-2H-chromen-8-yl)-N,N-dimethylmethanaminium nicotinate
SMILES and InChIs

SMILES:

[O-]C(=O)c1cccnc1.O=C/2Oc1c(c(O)ccc1\C(=C\2)CCC)C[NH+](C)C Copied

Std. InChI:

InChI=1S/C15H19NO3.C6H5NO2/c1-4-5-10-8-14(18)19-15-11(10)6-7-13(17)12(15)9-16(2)3;8-6(9)5-2-1-3-7-4-5/h6-8,17H,4-5,9H2,1-3H3;1-4H,(H,8,9) Copied

Std. InChIKey:

ZTOVXFBGXYIETH-UHFFFAOYSA-N Copied
Cite this record
CSID:4514487, http://www.chemspider.com/Chemical-Structure.4514487.html (accessed 11:50, May 21, 2013) Copied

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

10550-25-1 [RN]

8-((Dimethylamino)methyl)-7-hydroxy-4-propylcoumarin nicotinate (salt)

Coumarin, 8-((dimethylamino)methyl)-7-hydroxy-4-propyl-, nicotinate (salt)

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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