ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C20H23FN2O4 MolecularWeight: 374.406023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2.C2H2O4/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16;3-1(4)2(5)6/h1-8,13H,9-12,14-15H2;(H,3,4)(H,5,6)