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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C24H25ClN3OS+ MolecularWeight: 438.9928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3OS/c25-19-7-6-8-20(17-19)28-15-13-27(14-16-28)18-24(29)26-22-11-4-5-12-23(22)30-21-9-2-1-3-10-21/h1-12,17H,13-16,18H2,(H,26,29)/p+1