N-ethyl-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: N-ethyl-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: N-ethyl-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: N-ethyl-3-(4-fluorophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: N-ethyl-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: N-ethyl-3-(4-fluorophenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C17H18FN2OS+ MolecularWeight: 317.401023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC=CC(=C2)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC=CC(=C2)C

InChI

InChI=1S/C17H17FN2OS/c1-3-19-17(22)15(20-10-4-5-12(2)11-20)16(21)13-6-8-14(18)9-7-13/h4-11,15H,3H2,1-2H3/p+1