2-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenol; ethanedioic acid

Systemtic Name: 2-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenol; ethanedioic acid Openeye Name: 2-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenol; oxalic acid CAS Name: 2-[[4-[(2-bromophenyl)methyl]-1-piperazinyl]methyl]-4-methoxyphenol; oxalic acid IUPAC Name: 2-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol; oxalic acid Traditional Name: 2-[[4-(2-bromobenzyl)piperazino]methyl]-4-methoxy-phenol; oxalic acid Formula: C21H25BrN2O6 MolecularWeight: 481.337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O2.C2H2O4/c1-24-17-6-7-19(23)16(12-17)14-22-10-8-21(9-11-22)13-15-4-2-3-5-18(15)20;3-1(4)2(5)6/h2-7,12,23H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)