1-[3-(4-bromanylphenoxy)propyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[3-(4-bromanylphenoxy)propyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(4-bromophenoxy)propyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[3-(4-bromophenoxy)propyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[3-(4-bromophenoxy)propyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[3-(4-bromophenoxy)propyl]-4-methyl-piperazine; oxalic acid Formula: C16H23BrN2O5 MolecularWeight: 403.26822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC=C(C=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21BrN2O.C2H2O4/c1-16-8-10-17(11-9-16)7-2-12-18-14-5-3-13(15)4-6-14;3-1(4)2(5)6/h3-6H,2,7-12H2,1H3;(H,3,4)(H,5,6)