4-methylbenzenesulfonate; N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide

Systemtic Name: 4-methylbenzenesulfonate; N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide Openeye Name: 4-methylbenzenesulfonate; N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide CAS Name: 4-methylbenzenesulfonate; N-[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-4-[(1-methyl-4-quinolin-1-iumyl)amino]benzamide IUPAC Name: 4-methylbenzenesulfonate; N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide Traditional Name: N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide ditosylate Formula: C43H40N4O7S2 MolecularWeight: 788.9303

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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)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)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=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C

InChI

InChI=1S/C29H24N4O.2C7H8O3S/c1-32-18-15-22(16-19-32)21-7-11-25(12-8-21)31-29(34)23-9-13-24(14-10-23)30-27-17-20-33(2)28-6-4-3-5-26(27)28;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,1-2H3;2*2-5H,1H3,(H,8,9,10)