[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(furan-2-yl)methanone; ethanedioic acid

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(furan-2-yl)methanone; ethanedioic acid Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-furyl)methanone; oxalic acid CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-furanyl)methanone; oxalic acid IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(furan-2-yl)methanone; oxalic acid Traditional Name: 2-furyl-(4-piperonylpiperazino)methanone; oxalic acid Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2O4.C2H2O4/c20-17(15-2-1-9-21-15)19-7-5-18(6-8-19)11-13-3-4-14-16(10-13)23-12-22-14;3-1(4)2(5)6/h1-4,9-10H,5-8,11-12H2;(H,3,4)(H,5,6)