bis(4-ethynyl-1-methyl-piperidin-1-ium-4-yl) hexanedioate dichloride

Systemtic Name: bis(4-ethynyl-1-methyl-piperidin-1-ium-4-yl) hexanedioate dichloride Openeye Name: bis(4-ethynyl-1-methyl-piperidin-1-ium-4-yl) hexanedioate dichloride CAS Name: hexanedioic acid bis(4-ethynyl-1-methyl-4-piperidin-1-iumyl) ester dichloride IUPAC Name: bis(4-ethynyl-1-methylpiperidin-1-ium-4-yl) hexanedioate dichloride Traditional Name: adipic acid bis(4-ethynyl-1-methyl-piperidin-1-ium-4-yl) ester dichloride Formula: C22H34Cl2N2O4 MolecularWeight: 461.42236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#C)OC(=O)CCCCC(=O)OC2(CC[NH+](CC2)C)C#C.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)(C#C)OC(=O)CCCCC(=O)OC2(CC[NH+](CC2)C)C#C.[Cl-].[Cl-]

InChI

InChI=1S/C22H32N2O4.2ClH/c1-5-21(11-15-23(3)16-12-21)27-19(25)9-7-8-10-20(26)28-22(6-2)13-17-24(4)18-14-22;;/h1-2H,7-18H2,3-4H3;2*1H