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

Systemtic Name: N-(2-fluorophenyl)-2-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: N-(2-fluorophenyl)-2-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-acetamide CAS Name: N-(2-fluorophenyl)-2-[[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]thio]acetamide IUPAC Name: N-(2-fluorophenyl)-2-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanylacetamide Traditional Name: N-(2-fluorophenyl)-2-[[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thio]acetamide Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CSCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C20H23FN4O2S/c21-17-3-1-2-4-18(17)23-19(26)14-28-15-20(27)25-11-9-24(10-12-25)13-16-5-7-22-8-6-16/h1-8H,9-15H2,(H,23,26)/p+1