1-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]piperazine; ethanedioic acid

Systemtic Name: 1-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]piperazine; ethanedioic acid Openeye Name: 1-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]piperazine; oxalic acid CAS Name: 1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]piperazine; oxalic acid IUPAC Name: 1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]piperazine; oxalic acid Traditional Name: 1-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]piperazine; oxalic acid Formula: C16H22BrClN2O5 MolecularWeight: 437.71328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCN2CCNCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCN2CCNCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20BrClN2O.C2H2O4/c1-11-9-12(15)14(13(16)10-11)19-8-2-5-18-6-3-17-4-7-18;3-1(4)2(5)6/h9-10,17H,2-8H2,1H3;(H,3,4)(H,5,6)