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

Systemtic Name: 3-(2-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanethioamide Openeye Name: N-benzyl-3-(2-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(2-chlorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-(phenylmethyl)propanethioamide IUPAC Name: N-benzyl-3-(2-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanethioamide Traditional Name: N-benzyl-3-(2-chlorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C22H20ClN2O2S+ MolecularWeight: 411.9244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=CC=C2Cl)[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C22H19ClN2O2S/c23-19-11-5-4-10-18(19)21(27)20(25-12-6-9-17(14-25)15-26)22(28)24-13-16-7-2-1-3-8-16/h1-12,14,20,26H,13,15H2/p+1