N-(4-methylphenyl)-2-[4-(2-pyridin-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(2-pyridin-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[2-(2-pyridylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[1-oxo-2-(2-pyridinylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[2-(2-pyridylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H24N4O2S/c1-16-5-7-17(8-6-16)22-18(25)14-23-10-12-24(13-11-23)20(26)15-27-19-4-2-3-9-21-19/h2-9H,10-15H2,1H3,(H,22,25)/p+1