1-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(4-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-fluorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C16H18FN4O+ MolecularWeight: 301.338723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=C(C=C2)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=C(C=C2)F)C3=NC=CC=N3

InChI

InChI=1S/C16H17FN4O/c17-14-4-2-13(3-5-14)15(22)12-20-8-10-21(11-9-20)16-18-6-1-7-19-16/h1-7H,8-12H2/p+1