1-[3-(3-bromanylphenoxy)propyl]-4-(phenylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[3-(3-bromanylphenoxy)propyl]-4-(phenylmethyl)piperazine; ethanedioic acid Openeye Name: 1-benzyl-4-[3-(3-bromophenoxy)propyl]piperazine; oxalic acid CAS Name: 1-[3-(3-bromophenoxy)propyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[3-(3-bromophenoxy)propyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[3-(3-bromophenoxy)propyl]piperazine; oxalic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC(=CC=C2)Br)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC(=CC=C2)Br)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O.C2H2O4/c21-19-8-4-9-20(16-19)24-15-5-10-22-11-13-23(14-12-22)17-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-4,6-9,16H,5,10-15,17H2;(H,3,4)(H,5,6)