N4-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N1-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide

Systemtic Name: N4-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N1-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide Openeye Name: N4-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N1-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide diiodide CAS Name: N1-[4-[[(1-methyl-3-pyridin-1-iumyl)amino]-oxomethyl]phenyl]-N4-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzene-1,4-dicarboxamide diiodide IUPAC Name: 4-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide diiodide Traditional Name: N'-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]terephthalamide diiodide Formula: C33H30I2N6O3 MolecularWeight: 812.43864

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C.[I-].[I-]

InChI

InChI=1S/C33H28N6O3.2HI/c1-38-20-17-29(18-21-38)34-26-13-15-28(16-14-26)36-32(41)24-7-5-23(6-8-24)31(40)35-27-11-9-25(10-12-27)33(42)37-30-4-3-19-39(2)22-30;;/h3-22H,1-2H3,(H2-,35,36,37,40,41,42);2*1H