1,4-bis[(3-bromophenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1,4-bis[(3-bromophenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1,4-bis[(3-bromophenyl)methyl]piperazine; oxalic acid CAS Name: 1,4-bis[(3-bromophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1,4-bis[(3-bromophenyl)methyl]piperazine; oxalic acid Traditional Name: 1,4-bis(3-bromobenzyl)piperazine; oxalic acid Formula: C20H22Br2N2O4 MolecularWeight: 514.20768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Br2N2.C2H2O4/c19-17-5-1-3-15(11-17)13-21-7-9-22(10-8-21)14-16-4-2-6-18(20)12-16;3-1(4)2(5)6/h1-6,11-12H,7-10,13-14H2;(H,3,4)(H,5,6)