1-[(3-bromophenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine; ethanedioic acid Openeye Name: 1-(1-benzyl-4-piperidyl)-4-[(3-bromophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(3-bromophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(3-bromobenzyl)piperazine; oxalic acid Formula: C25H32BrN3O4 MolecularWeight: 518.44328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC(=CC=C3)Br)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC(=CC=C3)Br)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30BrN3.C2H2O4/c24-22-8-4-7-21(17-22)19-26-13-15-27(16-14-26)23-9-11-25(12-10-23)18-20-5-2-1-3-6-20;3-1(4)2(5)6/h1-8,17,23H,9-16,18-19H2;(H,3,4)(H,5,6)