2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanethioamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanethioamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thioacetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanethioamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanethioamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)thioacetamide Formula: C11H17N4S+ MolecularWeight: 237.34448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=S)N)C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1CC(=S)N)C2=CC=CC=[NH+]2

InChI

InChI=1S/C11H16N4S/c12-10(16)9-14-5-7-15(8-6-14)11-3-1-2-4-13-11/h1-4H,5-9H2,(H2,12,16)/p+1