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

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]piperazine; ethanedioic acid Openeye Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]piperazine; oxalic acid CAS Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]piperazine; oxalic acid Traditional Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]piperazine; oxalic acid Formula: C15H21BrN2O5 MolecularWeight: 389.24164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O.C2H2O4/c1-11-10-12(14)2-3-13(11)17-9-8-16-6-4-15-5-7-16;3-1(4)2(5)6/h2-3,10,15H,4-9H2,1H3;(H,3,4)(H,5,6)