4-bromanyl-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(3-chlorobenzyl)piperazino]methyl]phenol; oxalic acid Formula: C20H22BrClN2O5 MolecularWeight: 485.75608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20BrClN2O.C2H2O4/c19-16-4-5-18(23)15(11-16)13-22-8-6-21(7-9-22)12-14-2-1-3-17(20)10-14;3-1(4)2(5)6/h1-5,10-11,23H,6-9,12-13H2;(H,3,4)(H,5,6)