2-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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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=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-16-2-6-18(7-3-16)23-20(26)14-24-10-12-25(13-11-24)21(27)15-28-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H,23,26)/p+1