AC1L4LPG

bis(4-methylbenzenesulfonate);4-N-(1-propylpyridin-1-ium-3-yl)-1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

Also Known As: 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate|Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate|1-propyl-3-{[4-({4-[(1-propylpyridinium-3-yl)carbamoyl]benzoyl}amino)benzoyl]amino}pyridinium bis(4-methylbenzenesulfonate)|1-Propyl-3-(4-{4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]benzamido}benzamido)pyridin-1-ium bis(4-methylbenzene-1-sulfonate)|4-methylbenzenesulfonate; 4-N-(1-propylpyridin-1-ium-3-yl)-1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide

Molecular Formula	C45H47N5O9S2
Molecular Weight	865.2815 g/mol
LogP	6.63674
Topological Polar Surface Area	226.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	865.2815
Monoisotopic Mass	865.2815
Heavy Atoms	61
Complexity	984.0

Chemical Identifiers

CAS Number	21780-36-9
SMILES	CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C[N+](=CC=C4)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	LSYHQRCOXFPRCU-UHFFFAOYSA-N