1-[2-(4-bromanyl-2-chloranyl-phenoxy)ethyl]piperazine; ethanedioic acid

Systemtic Name: 1-[2-(4-bromanyl-2-chloranyl-phenoxy)ethyl]piperazine; ethanedioic acid Openeye Name: 1-[2-(4-bromo-2-chloro-phenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-[2-(4-bromo-2-chloro-phenoxy)ethyl]piperazine; oxalic acid Formula: C14H18BrClN2O5 MolecularWeight: 409.66012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)CCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16BrClN2O.C2H2O4/c13-10-1-2-12(11(14)9-10)17-8-7-16-5-3-15-4-6-16;3-1(4)2(5)6/h1-2,9,15H,3-8H2;(H,3,4)(H,5,6)