AC1L4LPV

1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)

Also Known As: Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate|1-ethyl-6-{[4-({4-[(1-ethylpyridinium-3-yl)carbamoyl]phenyl}carbamoyl)benzoyl]amino}quinolinium bis(4-methylbenzenesulfonate)|Quinolinium, 1-ethyl-6-((4-(((4-(((1-ethylpyridinium-3-yl)amino)carbonyl)phenyl)amino)carbonyl)benzoyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)|1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-|1-Ethyl-6-[4-({4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]quinolin-1-ium bis(4-methylbenzene-1-sulfonate)|1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate|Quinolinium, 1-ethyl-6-((4-(((4-(((1-ethylpyridinium-3-yl)amino)carbonyl)phenyl)amino)carbonyl)benzoyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)|Quinolinium, 1-ethyl-6-[[4-[[[4-[[(1-ethylpyridinium-3-yl)amino]carbonyl]phenyl]amino]carbonyl]benzoyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2)

Molecular Formula	C47H45N5O9S2
Molecular Weight	887.26587 g/mol
LogP	7.00974
Topological Polar Surface Area	226.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	887.26587
Monoisotopic Mass	887.26587
Heavy Atoms	63
Complexity	1080.0

Chemical Identifiers

CAS Number	21797-73-9
SMILES	CC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	HNGJBZFZSZRLDY-UHFFFAOYSA-N