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3,3'-[1,3-Phenylenebis(oxy-2,1-ethanediyl)]bis(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane) diiodide

ChemSpider ID: 27957
Molecular Formula: C₂₈H₄₈I₂N₄O₂
Average mass: 726.51532 Da
Monoisotopic mass: 726.186646 Da
Systematic name

3,3'-[1,3-Phenylenebis(oxy-2,1-ethanediyl)]bis(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane) diiodide
SMILES and InChIs

SMILES:

[I-].[I-].O(c3cccc(OCCN2CC1[N+](C(CCC1)C2)(C)C)c3)CCN5CC4[N+](C)(C)C(CCC4)C5 Copied

Std. InChI:

InChI=1S/C28H48N4O2.2HI/c1-31(2)23-8-5-9-24(31)20-29(19-23)14-16-33-27-12-7-13-28(18-27)34-17-15-30-21-25-10-6-11-26(22-30)32(25,3)4;;/h7,12-13,18,23-26H,5-6,8-11,14-17,19-22H2,1-4H3;2*1H/q+2;;/p-2 Copied

Std. InChIKey:

MBRFNRBQWDGUMS-UHFFFAOYSA-L Copied
Cite this record
CSID:27957, http://www.chemspider.com/Chemical-Structure.27957.html (accessed 13:33, May 24, 2013) Copied

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

20302-39-0 [RN]

3-AZA-9-AZONIABICYCLO(3.3.1)NONANE, 3,3'-(m-PHENYLENEBIS(OXYETHYLENE))BIS(9,9-DI

3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-(m-phenylenebis(oxyethylene))bis(9,9-dimethyl-, diiodide

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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