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2-{2-[Diethyl(methyl)ammonio]ethyl}-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindolium diiodide

ChemSpider ID: 47524
Molecular Formula: C₁₆H₃₂I₂N₂
Average mass: 506.247589 Da
Monoisotopic mass: 506.06546 Da
Systematic name

2-{2-[Diethyl(methyl)ammonio]ethyl}-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindolium diiodide
SMILES and InChIs

SMILES:

[I-].[I-].C\1=C\CC2C(C/1)C[N+](C)(CC[N+](CC)(CC)C)C2 Copied

Std. InChI:

InChI=1S/C16H32N2.2HI/c1-5-17(3,6-2)11-12-18(4)13-15-9-7-8-10-16(15)14-18;;/h7-8,15-16H,5-6,9-14H2,1-4H3;2*1H/q+2;;/p-2 Copied

Std. InChIKey:

DRGDSHNRLKOXSV-UHFFFAOYSA-L Copied
Cite this record
CSID:47524, http://www.chemspider.com/Chemical-Structure.47524.html (accessed 06:52, Jun 20, 2013) Copied

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

73816-67-8 [RN]

8-(Diethylmethylammoniumethyl)-8-methyl-8-azoniumbicyclo-(4.3.0)-nonene-2 diiodide

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

NSC 45136 [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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