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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propane-1,2-diol; ethanedioic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propane-1,2-diol; oxalic acid CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propane-1,2-diol; oxalic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propane-1,2-diol; oxalic acid Traditional Name: oxalic acid; 3-(4-piperonylpiperazino)propane-1,2-diol Formula: C17H24N2O8 MolecularWeight: 384.38106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4.C2H2O4/c18-10-13(19)9-17-5-3-16(4-6-17)8-12-1-2-14-15(7-12)21-11-20-14;3-1(4)2(5)6/h1-2,7,13,18-19H,3-6,8-11H2;(H,3,4)(H,5,6)