AC1L4LQJ

1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)

Also Known As: 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)|Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate|1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide; 4-methylbenzenesulfonate|1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide;4-methylbenzenesulfonate

Molecular Formula	C51H50N6O11S2
Molecular Weight	986.2979 g/mol
LogP	7.11744
Topological Polar Surface Area	265.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	986.2979
Monoisotopic Mass	986.2979
Heavy Atoms	70
Complexity	1270.0

Chemical Identifiers

CAS Number	2179-99-9
SMILES	CC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	DPNMQCUEWSXHDH-UHFFFAOYSA-N