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

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c22-19-7-4-8-20(15-19)25-12-10-24(11-13-25)16-21(26)23-9-14-27-17-18-5-2-1-3-6-18/h1-8,15H,9-14,16-17H2,(H,23,26)/p+1