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

Systemtic Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] pentanedioate Openeye Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] pentanedioate CAS Name: pentanedioic acid bis[(1,1-dimethyl-3-piperidin-1-iumyl)methyl] ester IUPAC Name: bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] pentanedioate Traditional Name: glutaric acid bis[(1,1-dimethylpiperidin-1-ium-3-yl)methyl] ester Formula: C21H40N2O4+2 MolecularWeight: 384.5533

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2O4/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/q+2