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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-benzyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-benzylpiperazine; oxalic acid Traditional Name: 1-benzyl-4-piperonyl-piperazine; oxalic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O2.C2H2O4/c1-2-4-16(5-3-1)13-20-8-10-21(11-9-20)14-17-6-7-18-19(12-17)23-15-22-18;3-1(4)2(5)6/h1-7,12H,8-11,13-15H2;(H,3,4)(H,5,6)