1-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]piperazine; ethanedioic acid

Systemtic Name: 1-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]piperazine; ethanedioic acid Openeye Name: 1-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]piperazine; oxalic acid Formula: C15H20BrClN2O5 MolecularWeight: 423.6867

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCN2CCNCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCN2CCNCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18BrClN2O.C2H2O4/c1-10-8-11(14)13(12(15)9-10)18-7-6-17-4-2-16-3-5-17;3-1(4)2(5)6/h8-9,16H,2-7H2,1H3;(H,3,4)(H,5,6)