1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; ethanedioic acid Openeye Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid CAS Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid IUPAC Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Traditional Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Formula: C24H28N2O10 MolecularWeight: 504.48652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O6.C2H2O4/c1-25-17-7-15(9-19-21(17)29-13-27-19)11-23-3-5-24(6-4-23)12-16-8-18(26-2)22-20(10-16)28-14-30-22;3-1(4)2(5)6/h7-10H,3-6,11-14H2,1-2H3;(H,3,4)(H,5,6)