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

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]-4-methyl-piperazine; oxalic acid Formula: C17H25BrN2O5 MolecularWeight: 417.2948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23BrN2O.C2H2O4/c1-13-12-14(16)4-5-15(13)19-11-3-6-18-9-7-17(2)8-10-18;3-1(4)2(5)6/h4-5,12H,3,6-11H2,1-2H3;(H,3,4)(H,5,6)