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

Systemtic Name: 1-[4-(diethylamino)but-2-ynyl]-5-methyl-pyrrolidin-2-one; ethanedioate Openeye Name: 1-[4-(diethylamino)but-2-ynyl]-5-methyl-pyrrolidin-2-one; oxalate CAS Name: 1-[4-(diethylamino)but-2-ynyl]-5-methyl-2-pyrrolidinone; oxalate IUPAC Name: 1-[4-(diethylamino)but-2-ynyl]-5-methylpyrrolidin-2-one; oxalate Traditional Name: 1-[4-(diethylamino)but-2-ynyl]-5-methyl-2-pyrrolidone; oxalate Formula: C32H44N4O14-6 MolecularWeight: 708.71016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN1C(CCC1=O)C.CCN(CC)CC#CCN1C(CCC1=O)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCN(CC)CC#CCN1C(CCC1=O)C.CCN(CC)CC#CCN1C(CCC1=O)C.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C13H22N2O.3C2H2O4/c2*1-4-14(5-2)10-6-7-11-15-12(3)8-9-13(15)16;3*3-1(4)2(5)6/h2*12H,4-5,8-11H2,1-3H3;3*(H,3,4)(H,5,6)/p-6