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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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