N-[4-[(6-azanyl-8-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate

Systemtic Name: N-[4-[(6-azanyl-8-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate Openeye Name: N-[4-[(6-amino-8-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate CAS Name: N-[4-[(6-amino-8-methoxy-1-methyl-4-quinolin-1-iumyl)amino]phenyl]-4-[(1-methyl-4-pyridin-1-iumyl)amino]benzamide; 4-methylbenzenesulfonate IUPAC Name: N-[4-[(6-amino-8-methoxy-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate Traditional Name: N-[4-[(6-amino-8-methoxy-1-methyl-quinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide ditosylate Formula: C44H44N6O8S2 MolecularWeight: 848.98556

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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=C(C5=[N+](C=C4)C)OC)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=C(C5=[N+](C=C4)C)OC)N

InChI

InChI=1S/C30H28N6O2.2C7H8O3S/c1-35-15-12-25(13-16-35)32-22-6-4-20(5-7-22)30(37)34-24-10-8-23(9-11-24)33-27-14-17-36(2)29-26(27)18-21(31)19-28(29)38-3;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-19H,31H2,1-3H3,(H,34,37);2*2-5H,1H3,(H,8,9,10)