N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid CAS Name: N-(1-butyl-6-quinolin-1-iumyl)-4-[4-[[(1-butyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid Traditional Name: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; tosylic acid Formula: C54H56N4O8S2+2 MolecularWeight: 953.17444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CCCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CCCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C40H38N4O2.2C7H8O3S/c1-3-5-23-43-25-7-9-33-27-35(19-21-37(33)43)41-39(45)31-15-11-29(12-16-31)30-13-17-32(18-14-30)40(46)42-36-20-22-38-34(28-36)10-8-26-44(38)24-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-22,25-28H,3-6,23-24H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/p+2