1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-bromobenzyl)-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C20H22BrFN2O4 MolecularWeight: 453.302083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20BrFN2.C2H2O4/c19-18-7-2-1-5-16(18)14-22-10-8-21(9-11-22)13-15-4-3-6-17(20)12-15;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)