ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2-fluorobenzyl)-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C19H22FN3O4 MolecularWeight: 375.394083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CC3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CC3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20FN3.C2H2O4/c18-17-4-2-1-3-16(17)14-21-11-9-20(10-12-21)13-15-5-7-19-8-6-15;3-1(4)2(5)6/h1-8H,9-14H2;(H,3,4)(H,5,6)