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2-{[3-(3-Cyclohexen-1-yl)-3-hydroxy-2-phenylpropanoyl]oxy}-N,N-diethyl-N-methylethanaminium bromide

ChemSpider ID: 175009
Molecular Formula: C₂₂H₃₄BrNO₃
Average mass: 440.414307 Da
Monoisotopic mass: 439.172211 Da
Systematic name

2-{[3-(3-Cyclohexen-1-yl)-3-hydroxy-2-phenylpropanoyl]oxy}-N,N-diethyl-N-methylethanaminium bromide
SMILES and InChIs

SMILES:

[Br-].O=C(OCC[N+](CC)(CC)C)C(c1ccccc1)C(O)C2C/C=C\CC2 Copied

Std. InChI:

InChI=1S/C22H34NO3.BrH/c1-4-23(3,5-2)16-17-26-22(25)20(18-12-8-6-9-13-18)21(24)19-14-10-7-11-15-19;/h6-10,12-13,19-21,24H,4-5,11,14-17H2,1-3H3;1H/q+1;/p-1 Copied

Std. InChIKey:

ROARVUHUQSUFIJ-UHFFFAOYSA-M Copied
Cite this record
CSID:175009, http://www.chemspider.com/Chemical-Structure.175009.html (accessed 21:22, May 20, 2013) Copied

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

7477-35-2 [RN]

Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, α-phenyl-3-cyclohexene-1-hydracrylate

Diethyl(2-hydroxyethyl)methylammonium bromide α-phenyl-3-cyclohexene-1-hydracrylate

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

NSC 400818 [DBID]

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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