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N-Benzyl-4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydro-4-pyridinyl]-N,N-dimethylanilinium iodide

ChemSpider ID: 44104
Molecular Formula: C₂₆H₃₁IN₂O₄
Average mass: 562.439819 Da
Monoisotopic mass: 562.132813 Da
Systematic name

N-Benzyl-4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydro-4-pyridinyl]-N,N-dimethylanilinium iodide
SMILES and InChIs

SMILES:

[I-].O=C(OC)\C1=C(\N/C(=C(/C(=O)OC)C1c2ccc(cc2)[N+](Cc3ccccc3)(C)C)C)C Copied

Std. InChI:

InChI=1S/C26H30N2O4.HI/c1-17-22(25(29)31-5)24(23(18(2)27-17)26(30)32-6)20-12-14-21(15-13-20)28(3,4)16-19-10-8-7-9-11-19;/h7-15,24H,16H2,1-6H3;1H Copied

Std. InChIKey:

WKTZIMKKCFKCRM-UHFFFAOYSA-N Copied
Cite this record
CSID:44104, http://www.chemspider.com/Chemical-Structure.44104.html (accessed 03:49, May 24, 2013) Copied

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

66941-30-8 [RN]

AMMONIUM, (p-(1,4-DIHYDRO-3,5-DIMETHOXYCARBONYL-2,6-DIMETHYL-4-PYRIDYL)PHENYL)BE

Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)benzyldimethyl-, iodide

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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