N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c19-13-5-7-14(8-6-13)25-16-4-2-1-3-15(16)21-18(24)12-22-10-9-20-17(23)11-22/h1-8H,9-12H2,(H,20,23)(H,21,24)/p+1