N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-[(4-chlorophenyl)thio]phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(4-chlorophenyl)thio]phenyl]acetamide Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-15(25)24-12-10-23(11-13-24)14-20(26)22-18-4-2-3-5-19(18)27-17-8-6-16(21)7-9-17/h2-9H,10-14H2,1H3,(H,22,26)/p+1