AC1L4FAA

bis(4-methylbenzenesulfonate);4-[2-oxo-2-[(1-pentylquinolin-1-ium-6-yl)amino]ethoxy]-N-(1-pentylquinolin-1-ium-6-yl)benzamide

Also Known As: Quinolinium, 1-pentyl-6-(alpha-((1-pentylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate|Quinolinium, 1-pentyl-6-(p-(1-pentyl-6-quinoliniocarbamoyl)phenoxyacetamido)-, ditosylate|1-Pentyl-6-(p-(1-pentyl-6-quinoliniocarbamoyl)phenoxyacetamido)quinolinium ditosylate|1-Pentyl-6-(2-{4-[(1-pentylquinolin-1-ium-6-yl)carbamoyl]phenoxy}acetamido)quinolin-1-ium bis(4-methylbenzene-1-sulfonate)|4-methylbenzenesulfonate; 4-[2-oxo-2-[(1-pentylquinolin-1-ium-6-yl)amino]ethoxy]-N-(1-pentylquinolin-1-ium-6-yl)benzamide

Molecular Formula	C51H56N4O9S2
Molecular Weight	932.3489 g/mol
LogP	9.01644
Topological Polar Surface Area	206.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	14
Exact Mass	932.3489
Monoisotopic Mass	932.3489
Heavy Atoms	66
Complexity	1070.0

Chemical Identifiers

CAS Number	18520-46-2
SMILES	CCCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	RWRQOWJZMFMJIF-UHFFFAOYSA-N