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

Systemtic Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] pentanedioate diiodide Openeye Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] pentanedioate diiodide CAS Name: pentanedioic acid bis[(1,1-dimethyl-3-piperidin-1-iumyl)methyl] ester diiodide IUPAC Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] pentanedioate diiodide Traditional Name: glutaric acid bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] ester diiodide Formula: C21H40I2N2O4 MolecularWeight: 638.36224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2O4.2HI/c1-22(2)12-6-8-18(14-22)16-26-20(24)10-5-11-21(25)27-17-19-9-7-13-23(3,4)15-19;;/h18-19H,5-17H2,1-4H3;2*1H/q+2;;/p-2