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

Systemtic Name: 4-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(4-bromo-2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(4-bromo-2-fluoro-benzyl)piperazin-4-ium-1-yl]phenol Formula: C17H19BrFN2O+ MolecularWeight: 366.247963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN2O/c18-14-2-1-13(17(19)11-14)12-20-7-9-21(10-8-20)15-3-5-16(22)6-4-15/h1-6,11,22H,7-10,12H2/p+1