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

Systemtic Name: 4-bromanyl-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(2-fluorobenzyl)piperazino]methyl]phenol; oxalic acid Formula: C20H22BrFN2O5 MolecularWeight: 469.301483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20BrFN2O.C2H2O4/c19-16-5-6-18(23)15(11-16)13-22-9-7-21(8-10-22)12-14-3-1-2-4-17(14)20;3-1(4)2(5)6/h1-6,11,23H,7-10,12-13H2;(H,3,4)(H,5,6)