1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-bromobenzyl)-4-(3,5-dimethoxybenzyl)piperazine; oxalic acid Formula: C22H27BrN2O6 MolecularWeight: 495.36358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCN(CC2)CC3=CC=CC=C3Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCN(CC2)CC3=CC=CC=C3Br)OC.C(=O)(C(=O)O)O

InChI

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