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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-(2-methoxyphenyl)piperazine; oxalic acid Formula: C20H23BrN2O5 MolecularWeight: 451.31102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21BrN2O.C2H2O4/c1-22-18-8-3-2-7-17(18)21-11-9-20(10-12-21)14-15-5-4-6-16(19)13-15;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)