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

Systemtic Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide Openeye Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide CAS Name: 4-methylbenzenesulfonic acid; N-(1-methyl-6-quinolin-1-iumyl)-4-[4-[[(1-methyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide IUPAC Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide Traditional Name: N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; tosylic acid Formula: C48H44N4O8S2+2 MolecularWeight: 869.01496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[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)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[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)C

InChI

InChI=1S/C34H26N4O2.2C7H8O3S/c1-37-19-3-5-27-21-29(15-17-31(27)37)35-33(39)25-11-7-23(8-12-25)24-9-13-26(14-10-24)34(40)36-30-16-18-32-28(22-30)6-4-20-38(32)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3;2*2-5H,1H3,(H,8,9,10)/p+2