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

Systemtic Name: 4-methylbenzenesulfonate; N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide Openeye Name: 4-methylbenzenesulfonate; N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide CAS Name: 4-methylbenzenesulfonate; N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]-4-nitrobenzamide IUPAC Name: 4-methylbenzenesulfonate; N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide tosylate Formula: C26H24N4O6S MolecularWeight: 520.55696

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Descriptors Computed from Structure

Canonical SMILES:

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)[N+](=O)[O-]

Isomeric SMILES

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)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3.C7H8O3S/c1-22-12-10-17(11-13-22)20-15-4-6-16(7-5-15)21-19(24)14-2-8-18(9-3-14)23(25)26;1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3,(H,21,24);2-5H,1H3,(H,8,9,10)