N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H27FN3OS+ MolecularWeight: 388.521983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSCC2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C21H26FN3OS/c22-20-9-5-4-6-18(20)17-27-15-10-23-21(26)16-24-11-13-25(14-12-24)19-7-2-1-3-8-19/h1-9H,10-17H2,(H,23,26)/p+1