3-(dimethylamino)propyl 1-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate; ethanedioate

Systemtic Name: 3-(dimethylamino)propyl 1-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate; ethanedioate Openeye Name: 3-(dimethylamino)propyl 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate; oxalate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid 3-(dimethylamino)propyl ester; oxalate IUPAC Name: 3-(dimethylamino)propyl 1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate; oxalate Traditional Name: 4-hydroxy-1-piperonyloyl-pyrrolidine-2-carboxylic acid 3-(dimethylamino)propyl ester; oxalate Formula: C20H24N2O10-2 MolecularWeight: 452.41196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1CC(CN1C(=O)C2=CC3=C(C=C2)OCO3)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN(C)CCCOC(=O)C1CC(CN1C(=O)C2=CC3=C(C=C2)OCO3)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H24N2O6.C2H2O4/c1-19(2)6-3-7-24-18(23)14-9-13(21)10-20(14)17(22)12-4-5-15-16(8-12)26-11-25-15;3-1(4)2(5)6/h4-5,8,13-14,21H,3,6-7,9-11H2,1-2H3;(H,3,4)(H,5,6)/p-2