1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-bromobenzyl)-4-(2,4-dimethoxybenzyl)piperazine; oxalic acid Formula: C22H27BrN2O6 MolecularWeight: 495.36358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2)CC3=CC=C(C=C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O2.C2H2O4/c1-24-19-8-5-17(20(13-19)25-2)15-23-11-9-22(10-12-23)14-16-3-6-18(21)7-4-16;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)