2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]ethanol Formula: C13H19ClFN2O+ MolecularWeight: 273.754163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCO

InChI

InChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-17-6-4-16(5-7-17)8-9-18/h1-3,18H,4-10H2/p+1