AC1L4LOS

bis(4-methylbenzenesulfonate);1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide

Also Known As: Quinolinium, 1-methyl-6-((p-(p-((1-methylquinolinium-6-yl)carbamoyl)benzamido)phenyl)carbamoyl)-, di-p-toluenesulfonate|1-methyl-6-{[4-({4-[(1-methylquinolinium-6-yl)carbamoyl]benzoyl}amino)phenyl]carbamoyl}quinolinium bis(4-methylbenzenesulfonate)|1-Methyl-6-[(4-{4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]benzamido}phenyl)carbamoyl]quinolin-1-ium bis(4-methylbenzene-1-sulfonate)|4-methylbenzenesulfonate; 1-N-[4-[(1-methylquinolin-1-ium-6-carbonyl)amino]phenyl]-4-N-(1-methylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide

Molecular Formula	C49H43N5O9S2
Molecular Weight	909.25024 g/mol
LogP	7.19714
Topological Polar Surface Area	226.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	909.25024
Monoisotopic Mass	909.25024
Heavy Atoms	65
Complexity	1170.0

Chemical Identifiers

CAS Number	21777-32-2
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)C
InChIKey	PZXPEOCYCIOECI-UHFFFAOYSA-N