4-[(7-azanyl-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate

Systemtic Name: 4-[(7-azanyl-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate Openeye Name: 4-[(7-amino-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate CAS Name: 4-[(7-amino-1-methyl-4-quinolin-1-iumyl)amino]-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzamide; 4-methylbenzenesulfonate IUPAC Name: 4-[(7-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate Traditional Name: 4-[(7-amino-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide ditosylate Formula: C43H42N6O7S2 MolecularWeight: 818.95958

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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=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=[N+](C=C4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=[N+](C=C4)C)N

InChI

InChI=1S/C29H26N6O.2C7H8O3S/c1-34-16-13-25(14-17-34)31-22-8-10-24(11-9-22)33-29(36)20-3-6-23(7-4-20)32-27-15-18-35(2)28-19-21(30)5-12-26(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-19H,1-2H3,(H3,30,32,33,36);2*2-5H,1H3,(H,8,9,10)