[(1S)-1-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-fluorophenyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]-dimethyl-ammonium Formula: C18H25FN5+ MolecularWeight: 330.423003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3F

Isomeric SMILES

C[NH+](C)[C@H](CN1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3F

InChI

InChI=1S/C18H24FN5/c1-22(2)17(15-6-3-4-7-16(15)19)14-23-10-12-24(13-11-23)18-20-8-5-9-21-18/h3-9,17H,10-14H2,1-2H3/p+1/t17-/m1/s1