2-azanyl-N-[4-[(6-azanyl-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate

Systemtic Name: 2-azanyl-N-[4-[(6-azanyl-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate Openeye Name: 2-amino-N-[4-[(6-amino-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate CAS Name: 2-amino-N-[4-[(6-amino-1-methyl-4-quinolin-1-iumyl)amino]phenyl]-4-[(1-methyl-4-pyridin-1-iumyl)amino]benzamide; 4-methylbenzenesulfonate IUPAC Name: 2-amino-N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate Traditional Name: 2-amino-N-[4-[(6-amino-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide ditosylate Formula: C43H43N7O7S2 MolecularWeight: 833.97422

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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)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N)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)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N)N

InChI

InChI=1S/C29H27N7O.2C7H8O3S/c1-35-14-11-22(12-15-35)32-23-8-9-24(26(31)18-23)29(37)34-21-6-4-20(5-7-21)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,30H2,1-2H3,(H3,31,34,37);2*2-5H,1H3,(H,8,9,10)