bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] pentanedioate

Systemtic Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] pentanedioate Openeye Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] pentanedioate CAS Name: pentanedioic acid bis[4-(1-methyl-1-piperidin-1-iumyl)but-2-ynyl] ester IUPAC Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] pentanedioate Traditional Name: glutaric acid bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] ester Formula: C25H40N2O4+2 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC#CCOC(=O)CCCC(=O)OCC#CC[N+]2(CCCCC2)C

Isomeric SMILES

C[N+]1(CCCCC1)CC#CCOC(=O)CCCC(=O)OCC#CC[N+]2(CCCCC2)C

InChI

InChI=1S/C25H40N2O4/c1-26(16-5-3-6-17-26)20-9-11-22-30-24(28)14-13-15-25(29)31-23-12-10-21-27(2)18-7-4-8-19-27/h3-8,13-23H2,1-2H3/q+2