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2-(2-{[2-(1-Naphthyl)-4-penten-1-yl]ammonio}ethyl)pyrrolidinium bis(hydrogen ethanedioate)

ChemSpider ID: 23516
Molecular Formula: C₂₅H₃₂N₂O₈
Average mass: 488.530212 Da
Monoisotopic mass: 488.215851 Da
Systematic name

2-(2-{[2-(1-Naphthyl)-4-penten-1-yl]ammonio}ethyl)pyrrolidinium bis(hydrogen ethanedioate)
SMILES and InChIs

SMILES:

[O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.c12ccccc1cccc2C(C[NH2+]CCC3[NH2+]CCC3)C\C=C Copied

Std. InChI:

InChI=1S/C21H28N2.2C2H2O4/c1-2-7-18(16-22-15-13-19-10-6-14-23-19)21-12-5-9-17-8-3-4-11-20(17)21;2*3-1(4)2(5)6/h2-5,8-9,11-12,18-19,22-23H,1,6-7,10,13-16H2;2*(H,3,4)(H,5,6) Copied

Std. InChIKey:

NIYUOWSCWVSKTE-UHFFFAOYSA-N Copied
Cite this record
CSID:23516, http://www.chemspider.com/Chemical-Structure.23516.html (accessed 05:41, May 22, 2013) Copied

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

10337-42-5 [RN]

1-Naphthaleneethylamine, β-(2-propenyl)-N-(2-pyrrolidinoethyl)-, bioxalate

4-Pentenylamine, 2-(1-naphthyl)-N-(2-pyrrolidinoethyl)-, bioxalate

β-(2-Propenyl)-N-(2-pyrrolidinoethyl)-1-naphthaleneethylamine bioxalate

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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