N-(4-methylsulfanylphenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methylsulfanylphenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(4-methylsulfanylphenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-[4-(methylthio)phenyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-methylsulfanylphenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-[4-(methylthio)phenyl]-2-piperazin-1-ium-1-yl-acetamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C13H19N3OS/c1-18-12-4-2-11(3-5-12)15-13(17)10-16-8-6-14-7-9-16/h2-5,14H,6-10H2,1H3,(H,15,17)/p+1