AC1Q1TAV

1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide

Also Known As: 1-methyl-1-{[2-(2-{2-methyl-4-[(1-methylpiperidinium-1-yl)methyl]-1,3-dioxolan-2-yl}ethyl)-1,3-dioxolan-4-yl]methyl}piperidinium diiodide|Piperidinium, 1-methyl-1-(2-methyl-2-(2-(4-(1-methylpiperidinium-1-ylmethyl)-2-dioxolanyl)ethyl)-4-dioxolanylmethyl)-, diiodide|1-methyl-1-[[2-[2-[2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide|1-Methyl-1-{[2-(2-{2-methyl-4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl}ethyl)-1,3-dioxolan-4-yl]methyl}piperidin-1-ium diiodide

Molecular Formula	C23H44I2N2O4
Molecular Weight	666.13904 g/mol
LogP	-3.0913
Topological Polar Surface Area	36.9 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	666.13904
Monoisotopic Mass	666.13904
Heavy Atoms	31
Complexity	533.0

Chemical Identifiers

CAS Number	53593-83-2
SMILES	CC1(OCC(O1)C[N+]2(CCCCC2)C)CCC3OCC(O3)C[N+]4(CCCCC4)C.[I-].[I-]
InChIKey	VXGJKJHZRRWPRY-UHFFFAOYSA-L