1-[4-(3-bromanylphenoxy)butyl]-4-(phenylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[4-(3-bromanylphenoxy)butyl]-4-(phenylmethyl)piperazine; ethanedioic acid Openeye Name: 1-benzyl-4-[4-(3-bromophenoxy)butyl]piperazine; oxalic acid CAS Name: 1-[4-(3-bromophenoxy)butyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[4-(3-bromophenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[4-(3-bromophenoxy)butyl]piperazine; oxalic acid Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O.C2H2O4/c22-20-9-6-10-21(17-20)25-16-5-4-11-23-12-14-24(15-13-23)18-19-7-2-1-3-8-19;3-1(4)2(5)6/h1-3,6-10,17H,4-5,11-16,18H2;(H,3,4)(H,5,6)