AC1L4LVD

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

Also Known As: Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate|3,3'-[(2-aminobenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-propylpyridinium) bis(4-methylbenzenesulfonate)|2-amino-1-N,4-N-bis[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate

Molecular Formula	C52H53N7O10S2
Molecular Weight	999.3295 g/mol
LogP	7.47124
Topological Polar Surface Area	281.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	999.3295
Monoisotopic Mass	999.3295
Heavy Atoms	71
Complexity	1280.0

Chemical Identifiers

CAS Number	21897-05-2
SMILES	CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	AJHUDNUETNFGEV-UHFFFAOYSA-N