ethanedioic acid; (5S)-5-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Systemtic Name: ethanedioic acid; (5S)-5-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Openeye Name: (5S)-5-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one; oxalic acid CAS Name: (5S)-5-methyl-1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinone; oxalic acid IUPAC Name: (5S)-5-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one; oxalic acid Traditional Name: (5S)-5-methyl-1-(4-pyrrolidinobut-2-ynyl)-2-pyrrolidone; oxalic acid Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N1CC#CCN2CCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H]1CCC(=O)N1CC#CCN2CCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O.C2H2O4/c1-12-6-7-13(16)15(12)11-5-4-10-14-8-2-3-9-14;3-1(4)2(5)6/h12H,2-3,6-11H2,1H3;(H,3,4)(H,5,6)/t12-;/m0./s1