RefChem:1051482

bis[4-(1-ethylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Also Known As: Piperidinium, 1-ethyl-1-(4-hydroxybutyl)-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1)|1,1'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxybutane-4,1-diyl))bis(1-ethylpiperidin-1-ium) diiodide|1,1'-[(2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxybutane-4,1-diyl)]bis(1-ethylpiperidin-1-ium) diiodide|bis[4-(1-ethylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Molecular Formula	C40H60I2N2O4
Molecular Weight	886.2642 g/mol
LogP	1.496
Topological Polar Surface Area	52.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	18
Exact Mass	886.2642
Monoisotopic Mass	886.2642
Heavy Atoms	48
Complexity	828.0

Chemical Identifiers

CAS Number	10084-48-7
SMILES	CC[N+]1(CCCCC1)CCCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCCC[N+]4(CCCCC4)CC)C5=CC=CC=C5.[I-].[I-]
InChIKey	MFHXTHVGTJYROA-UHFFFAOYSA-L