1,6-bis(4-methoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide

Systemtic Name: 1,6-bis(4-methoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide Openeye Name: 1,6-bis(4-methoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide CAS Name: 1,6-bis(4-methoxyphenyl)-2,5-bis[(1-methyl-1-azepan-1-iumyl)methyl]hexane-1,6-dione diiodide IUPAC Name: 1,6-bis(4-methoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide Traditional Name: 1,6-bis(4-methoxyphenyl)-2,5-bis[(1-methylazepan-1-ium-1-yl)methyl]hexane-1,6-dione diiodide Formula: C36H54I2N2O4 MolecularWeight: 832.6339

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC(CCC(C[N+]2(CCCCCC2)C)C(=O)C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC.[I-].[I-]

InChI

InChI=1S/C36H54N2O4.2HI/c1-37(23-9-5-6-10-24-37)27-31(35(39)29-15-19-33(41-3)20-16-29)13-14-32(28-38(2)25-11-7-8-12-26-38)36(40)30-17-21-34(42-4)22-18-30;;/h15-22,31-32H,5-14,23-28H2,1-4H3;2*1H/q+2;;/p-2