1-[4-(4-bromanylphenoxy)butyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[4-(4-bromanylphenoxy)butyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[4-(4-bromophenoxy)butyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[4-(4-bromophenoxy)butyl]-4-methyl-piperazine; oxalic acid Formula: C17H25BrN2O5 MolecularWeight: 417.2948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCOC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCOC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

InChI

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