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

Systemtic Name: 4-[(6-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate Openeye Name: 4-[(6-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate CAS Name: 4-[(6-methoxy-1-methyl-4-quinolin-1-iumyl)amino]-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzamide; 4-methylbenzenesulfonate IUPAC Name: 4-[(6-methoxy-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate Traditional Name: 4-[(6-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide ditosylate Formula: C44H43N5O8S2 MolecularWeight: 833.97092

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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=C(C=CC5=[N+](C=C4)C)OC

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=C(C=CC5=[N+](C=C4)C)OC

InChI

InChI=1S/C30H27N5O2.2C7H8O3S/c1-34-17-14-25(15-18-34)31-22-8-10-24(11-9-22)33-30(36)21-4-6-23(7-5-21)32-28-16-19-35(2)29-13-12-26(37-3)20-27(28)29;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-20H,1-3H3,(H,33,36);2*2-5H,1H3,(H,8,9,10)