ethanedioic acid; 1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Systemtic Name: ethanedioic acid; 1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one Openeye Name: oxalic acid; 1-[4-(1-piperidyl)but-2-ynyl]pyrrolidin-2-one CAS Name: oxalic acid; 1-[4-(1-piperidinyl)but-2-ynyl]-2-pyrrolidinone IUPAC Name: oxalic acid; 1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-2-one Traditional Name: oxalic acid; 1-(4-piperidinobut-2-ynyl)-2-pyrrolidone Formula: C32H46N4O14 MolecularWeight: 710.72604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCN2CCCC2=O.C1CCN(CC1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CC#CCN2CCCC2=O.C1CCN(CC1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C13H20N2O.3C2H2O4/c2*16-13-7-6-12-15(13)11-5-4-10-14-8-2-1-3-9-14;3*3-1(4)2(5)6/h2*1-3,6-12H2;3*(H,3,4)(H,5,6)