bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] heptanedioate diiodide

Systemtic Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] heptanedioate diiodide Openeye Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] heptanedioate diiodide CAS Name: heptanedioic acid bis[(1,1-dimethyl-3-piperidin-1-iumyl)methyl] ester diiodide IUPAC Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] heptanedioate diiodide Traditional Name: pimelic acid bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] ester diiodide Formula: C23H44I2N2O4 MolecularWeight: 666.4154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)COC(=O)CCCCCC(=O)OCC2CCC[N+](C2)(C)C)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCC(C1)COC(=O)CCCCCC(=O)OCC2CCC[N+](C2)(C)C)C.[I-].[I-]

InChI

InChI=1S/C23H44N2O4.2HI/c1-24(2)14-8-10-20(16-24)18-28-22(26)12-6-5-7-13-23(27)29-19-21-11-9-15-25(3,4)17-21;;/h20-21H,5-19H2,1-4H3;2*1H/q+2;;/p-2