RefChem:318894

(2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide

Also Known As: AC1L1QWX|RefChem:318894|Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester)|(2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide|AMMONIUM, (4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(((2-CYANO-2-HYDROXYCYCLOHEXY|2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N-{[2-(acetyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethylethanamidium) dibromide

Molecular Formula	C40H52Br2N4O6
Molecular Weight	842.22534 g/mol
LogP	-0.32
Topological Polar Surface Area	134.32 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	844.2233
Heavy Atoms	52
Complexity	1541.0

Chemical Identifiers

CAS Number	28003-33-0
SMILES	CC(=O)OC1(CCCCC1C[N+](C)(C)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C)C#N.[Br-].[Br-]