2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C19H23ClN3OS+ MolecularWeight: 376.92342

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3OS/c1-25-18-8-3-2-7-17(18)21-19(24)14-22-9-11-23(12-10-22)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)/p+1