3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanethioamide

Systemtic Name: 3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanethioamide Openeye Name: N-benzyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(4-fluorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-(phenylmethyl)propanethioamide IUPAC Name: N-benzyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanethioamide Traditional Name: N-benzyl-3-(4-fluorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C22H20FN2O2S+ MolecularWeight: 395.469803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C22H19FN2O2S/c23-19-10-8-18(9-11-19)21(27)20(25-12-4-7-17(14-25)15-26)22(28)24-13-16-5-2-1-3-6-16/h1-12,14,20,26H,13,15H2/p+1