N-[2-(4-methylphenyl)sulfanylethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H21N3O2S/c1-12-2-4-13(5-3-12)21-9-7-17-15(20)11-18-8-6-16-14(19)10-18/h2-5H,6-11H2,1H3,(H,16,19)(H,17,20)/p+1