AC1L4LTV

1-N,4-N-bis[2-methoxy-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)

Also Known As: Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate|3,3'-{benzene-1,4-diylbis[carbonylimino(3-methoxybenzene-4,1-diyl)carbonylimino]}bis(1-propylpyridinium) bis(4-methylbenzenesulfonate)|1-N,4-N-bis[2-methoxy-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate|3,3'-{1,4-Phenylenebis[carbonylazanediyl(3-methoxy-4,1-phenylene)carbonylazanediyl]}bis(1-propylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate)

Molecular Formula	C54H56N6O12S2
Molecular Weight	1044.3397 g/mol
LogP	7.90624
Topological Polar Surface Area	274.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	1044.3397
Monoisotopic Mass	1044.3397
Heavy Atoms	74
Complexity	1270.0

Chemical Identifiers

CAS Number	21863-85-4
SMILES	CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	OUUIGONKYNWDPT-UHFFFAOYSA-N