4-methylbenzenesulfonate; 4-[2-oxidanylidene-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide

Systemtic Name: 4-methylbenzenesulfonate; 4-[2-oxidanylidene-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide Openeye Name: 4-methylbenzenesulfonate; 4-[2-oxo-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide CAS Name: 4-methylbenzenesulfonate; 4-[2-oxo-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propyl-6-quinolin-1-iumyl)benzamide IUPAC Name: 4-methylbenzenesulfonate; 4-[2-oxo-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide Traditional Name: 4-[2-keto-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide ditosylate Formula: C47H50N4O9S2 MolecularWeight: 879.0513

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC=C2C(=C1)C=CC=[NH+]2)NC(=O)COC3=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

CCCC1(CC=C2C(=C1)C=CC=[NH+]2)NC(=O)COC3=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/C33H34N4O3.2C7H8O3S/c1-3-16-33(17-15-29-26(22-33)7-5-18-34-29)36-31(38)23-40-28-12-9-24(10-13-28)32(39)35-27-11-14-30-25(21-27)8-6-20-37(30)19-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-15,18,20-22H,3-4,16-17,19,23H2,1-2H3,(H-,35,36,38,39);2*2-5H,1H3,(H,8,9,10)