3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanethioamide

Systemtic Name: 3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanethioamide Openeye Name: N-allyl-3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(4-chlorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanethioamide IUPAC Name: 3-(4-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanethioamide Traditional Name: N-allyl-3-(4-chlorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C18H18ClN2O2S+ MolecularWeight: 361.86572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O2S/c1-2-9-20-18(24)16(21-10-3-4-13(11-21)12-22)17(23)14-5-7-15(19)8-6-14/h2-8,10-11,16,22H,1,9,12H2/p+1