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

Systemtic Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate dihydroiodide Openeye Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate dihydroiodide CAS Name: hexanedioic acid bis[4-(1-methyl-1-piperidin-1-iumyl)but-2-ynyl] ester dihydroiodide IUPAC Name: bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] hexanedioate dihydroiodide Traditional Name: adipic acid bis[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynyl] ester dihydroiodide Formula: C26H44I2N2O4+2 MolecularWeight: 702.4475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O4.2HI/c1-27(17-7-3-8-18-27)21-11-13-23-31-25(29)15-5-6-16-26(30)32-24-14-12-22-28(2)19-9-4-10-20-28;;/h3-10,15-24H2,1-2H3;2*1H/q+2;;