N-(4-fluorophenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C25H26FN4O2S+ MolecularWeight: 465.562943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O2S/c26-20-5-7-21(8-6-20)28-24(31)18-33-23-4-2-1-3-22(23)25(32)30-15-13-29(14-16-30)17-19-9-11-27-12-10-19/h1-12H,13-18H2,(H,28,31)/p+1