(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethanethioamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethanethioamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-pyridyl)thioacetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethanethioamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethanethioamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-pyridyl)thioacetamide Formula: C13H19N4OS+ MolecularWeight: 279.38116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CN=CC=C2)C(=S)N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CN=CC=C2)C(=S)N

InChI

InChI=1S/C13H18N4OS/c1-10(18)16-5-7-17(8-6-16)12(13(14)19)11-3-2-4-15-9-11/h2-4,9,12H,5-8H2,1H3,(H2,14,19)/p+1/t12-/m0/s1