4-methylbenzenesulfonate; N1-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-N4-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide

Systemtic Name: 4-methylbenzenesulfonate; N1-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-N4-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide Openeye Name: 4-methylbenzenesulfonate; N1-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-N4-(1-propylquinolin-1-ium-6-yl)terephthalamide CAS Name: 4-methylbenzenesulfonate; N1-[4-[oxo-[(1-propyl-3-pyridin-1-iumyl)amino]methyl]phenyl]-N4-(1-propyl-6-quinolin-1-iumyl)benzene-1,4-dicarboxamide IUPAC Name: 4-methylbenzenesulfonate; 1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-propylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide Traditional Name: N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]-N'-(1-propylquinolin-1-ium-6-yl)terephthalamide ditosylate Formula: C49H49N5O9S2 MolecularWeight: 916.07146

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Descriptors Computed from Structure

Canonical SMILES:

CCC[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)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[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)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C35H33N5O3.2C7H8O3S/c1-3-19-39-21-6-8-31(24-39)38-35(43)27-13-15-29(16-14-27)36-33(41)25-9-11-26(12-10-25)34(42)37-30-17-18-32-28(23-30)7-5-22-40(32)20-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-18,21-24H,3-4,19-20H2,1-2H3,(H-2,36,37,38,41,42,43);2*2-5H,1H3,(H,8,9,10)