N-(2-methylsulfanylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H17N3O2S/c1-19-11-5-3-2-4-10(11)15-13(18)9-16-7-6-14-12(17)8-16/h2-5H,6-9H2,1H3,(H,14,17)(H,15,18)/p+1