N2,N6-bis(1-methylquinolin-1-ium-6-yl)pyrazine-2,6-dicarboxamide diiodide

Systemtic Name: N2,N6-bis(1-methylquinolin-1-ium-6-yl)pyrazine-2,6-dicarboxamide diiodide Openeye Name: N2,N6-bis(1-methylquinolin-1-ium-6-yl)pyrazine-2,6-dicarboxamide diiodide CAS Name: N2,N6-bis(1-methyl-6-quinolin-1-iumyl)pyrazine-2,6-dicarboxamide diiodide IUPAC Name: 2-N,6-N-bis(1-methylquinolin-1-ium-6-yl)pyrazine-2,6-dicarboxamide diiodide Traditional Name: N,N'-bis(1-methylquinolin-1-ium-6-yl)pyrazine-2,6-dicarboxamide diiodide Formula: C26H22I2N6O2 MolecularWeight: 704.30082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CN=CC(=N3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CN=CC(=N3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C.[I-].[I-]

InChI

InChI=1S/C26H20N6O2.2HI/c1-31-11-3-5-17-13-19(7-9-23(17)31)28-25(33)21-15-27-16-22(30-21)26(34)29-20-8-10-24-18(14-20)6-4-12-32(24)2;;/h3-16H,1-2H3;2*1H