1-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperazin-4-ium Openeye Name: 1-(4-ethylsulfonyl-2-fluoro-phenyl)piperazin-4-ium CAS Name: 1-(4-ethylsulfonyl-2-fluorophenyl)piperazin-4-ium IUPAC Name: 1-(4-ethylsulfonyl-2-fluorophenyl)piperazin-4-ium Traditional Name: 1-(4-esyl-2-fluoro-phenyl)piperazin-4-ium Formula: C12H18FN2O2S+ MolecularWeight: 273.346923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH2+]CC2)F

InChI

InChI=1S/C12H17FN2O2S/c1-2-18(16,17)10-3-4-12(11(13)9-10)15-7-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3/p+1