2-(4-chlorophenyl)sulfanyl-N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C19H22ClFN3OS+ MolecularWeight: 394.913883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C19H21ClFN3OS/c1-23-8-10-24(11-9-23)18-7-4-15(12-17(18)21)22-19(25)13-26-16-5-2-14(20)3-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1