1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)piperazine; oxalic acid Traditional Name: 1-(2-chlorophenyl)-4-piperonyl-piperazine; oxalic acid Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19ClN2O2.C2H2O4/c19-15-3-1-2-4-16(15)21-9-7-20(8-10-21)12-14-5-6-17-18(11-14)23-13-22-17;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)