1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(o-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-methylbenzyl)piperazine; oxalic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC(=C(C=C3)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC(=C(C=C3)OC)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O.C2H2O4/c1-16-5-3-4-6-18(16)15-23-11-9-22(10-12-23)14-17-7-8-20(24-2)19(21)13-17;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)