N-[(4-fluorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-fluorobenzyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13FN2O2S MolecularWeight: 292.328623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC=C(C=C2)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC=C(C=C2)F)[O-]

InChI

InChI=1S/C14H13FN2O2S/c15-12-6-4-11(5-7-12)9-16-13(18)10-20-14-3-1-2-8-17(14)19/h1-8H,9-10H2,(H,16,18)