RefChem:319122

(2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide

Also Known As: AC1L1QXL|RefChem:319122|Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide|(2-cyano-2-hydroxycyclohexyl)methyl-[2-[4-[2-[(2-cyano-2-hydroxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide|2,2'-(1,4-Phenylene)bis{N-[(2-cyano-2-hydroxycyclohexyl)methyl]-N,N-dimethyl-2-oxoethan-1-aminium} dibromide

Molecular Formula	C30H44Br2N4O4
Molecular Weight	682.1729 g/mol
LogP	-2.9
Topological Polar Surface Area	122.18 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	684.1709
Heavy Atoms	40
Complexity	1025.2

Chemical Identifiers

CAS Number	28003-37-4
SMILES	C[N+](C)(CC1CCCCC1(C#N)O)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)O.[Br-].[Br-]