4-bromanyl-2-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-fluorobenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C18H21BrFN2O+ MolecularWeight: 380.274543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)Br)O)CC3=CC=C(C=C3)F

InChI

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