(5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methyl-pyrrolidin-2-one; ethanedioate

Systemtic Name: (5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methyl-pyrrolidin-2-one; ethanedioate Openeye Name: (5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methyl-pyrrolidin-2-one; oxalate CAS Name: (5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methyl-2-pyrrolidinone; oxalate IUPAC Name: (5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one; oxalate Traditional Name: (5S)-1-[4-(dimethylamino)but-2-ynyl]-5-methyl-2-pyrrolidone; oxalate Formula: C28H36N4O14-6 MolecularWeight: 652.60384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N1CC#CCN(C)C.CC1CCC(=O)N1CC#CCN(C)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/2C11H18N2O.3C2H2O4/c2*1-10-6-7-11(14)13(10)9-5-4-8-12(2)3;3*3-1(4)2(5)6/h2*10H,6-9H2,1-3H3;3*(H,3,4)(H,5,6)/p-6/t2*10-;;;/m00.../s1