1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-fluorobenzyl)-4-piperonyl-piperazine; oxalic acid Formula: C21H23FN2O6 MolecularWeight: 418.415523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O2.C2H2O4/c20-17-4-1-15(2-5-17)12-21-7-9-22(10-8-21)13-16-3-6-18-19(11-16)24-14-23-18;3-1(4)2(5)6/h1-6,11H,7-10,12-14H2;(H,3,4)(H,5,6)