1-methyl-N-[4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]pyridin-1-ium-3-carboxamide diiodide

Systemtic Name: 1-methyl-N-[4-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]pyridin-1-ium-3-carboxamide diiodide Openeye Name: 1-methyl-N-[4-[(1-methylpyridin-1-ium-3-carbonyl)amino]-9,10-dioxo-1-anthryl]pyridin-1-ium-3-carboxamide diiodide CAS Name: 1-methyl-N-[4-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]-9,10-dioxo-1-anthracenyl]-3-pyridin-1-iumcarboxamide diiodide IUPAC Name: 1-methyl-N-[4-[(1-methylpyridin-1-ium-3-carbonyl)amino]-9,10-dioxoanthracen-1-yl]pyridin-1-ium-3-carboxamide diiodide Traditional Name: N-[9,10-diketo-4-[(1-methylpyridin-1-ium-3-carbonyl)amino]-1-anthryl]-1-methyl-pyridin-1-ium-3-carboxamide diiodide Formula: C28H22I2N4O4 MolecularWeight: 732.30762

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC2=C3C(=C(C=C2)NC(=O)C4=C[N+](=CC=C4)C)C(=O)C5=CC=CC=C5C3=O.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC2=C3C(=C(C=C2)NC(=O)C4=C[N+](=CC=C4)C)C(=O)C5=CC=CC=C5C3=O.[I-].[I-]

InChI

InChI=1S/C28H20N4O4.2HI/c1-31-13-5-7-17(15-31)27(35)29-21-11-12-22(30-28(36)18-8-6-14-32(2)16-18)24-23(21)25(33)19-9-3-4-10-20(19)26(24)34;;/h3-16H,1-2H3;2*1H