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N,N-Dimethyl-2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethanaminium chloride

ChemSpider ID: 17907
Molecular Formula: C₂₁H₂₂ClNO₄
Average mass: 387.856689 Da
Monoisotopic mass: 387.123749 Da
Systematic name

N,N-Dimethyl-2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethanaminium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(OCC[NH+](C)C)c3cccc1c3O/C(=C(\C1=O)C)c2ccccc2 Copied

Std. InChI:

InChI=1S/C21H21NO4.ClH/c1-14-18(23)16-10-7-11-17(21(24)25-13-12-22(2)3)20(16)26-19(14)15-8-5-4-6-9-15;/h4-11H,12-13H2,1-3H3;1H Copied

Std. InChIKey:

QFJMLRAUJHSEOY-UHFFFAOYSA-N Copied
Cite this record
CSID:17907, http://www.chemspider.com/Chemical-Structure.17907.html (accessed 08:05, Jun 18, 2013) Copied

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

3468-03-9 [RN]

4H-1-BENZOPYRAN-8-CARBOXYLIC ACID, 3-METHYL-4-OXO-2-PHENYL-, 2-(DIMETHYLAMINO)ET

4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride

REC 1-0269

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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