3-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanethioamide

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanethioamide Openeye Name: N-allyl-3-(5-chloro-2-thienyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(5-chloro-2-thiophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanethioamide IUPAC Name: 3-(5-chlorothiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanethioamide Traditional Name: N-allyl-3-(5-chloro-2-thienyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C16H16ClN2O2S2+ MolecularWeight: 367.89344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC(=C2)CO

Isomeric SMILES

C=CCNC(=S)C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC(=C2)CO

InChI

InChI=1S/C16H15ClN2O2S2/c1-2-7-18-16(22)14(15(21)12-5-6-13(17)23-12)19-8-3-4-11(9-19)10-20/h2-6,8-9,14,20H,1,7,10H2/p+1