1-[4-(4-chloranylphenoxy)butyl]-4-(phenylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[4-(4-chloranylphenoxy)butyl]-4-(phenylmethyl)piperazine; ethanedioic acid Openeye Name: 1-benzyl-4-[4-(4-chlorophenoxy)butyl]piperazine; oxalic acid CAS Name: 1-[4-(4-chlorophenoxy)butyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[4-(4-chlorophenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[4-(4-chlorophenoxy)butyl]piperazine; oxalic acid Formula: C23H29ClN2O5 MolecularWeight: 448.93976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=C(C=C2)Cl)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27ClN2O.C2H2O4/c22-20-8-10-21(11-9-20)25-17-5-4-12-23-13-15-24(16-14-23)18-19-6-2-1-3-7-19;3-1(4)2(5)6/h1-3,6-11H,4-5,12-18H2;(H,3,4)(H,5,6)