3-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propionamide Formula: C17H27ClN3OS+ MolecularWeight: 356.93378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCNC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)CCCNC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H26ClN3OS/c1-20-10-12-21(13-11-20)9-2-8-19-17(22)7-14-23-16-5-3-15(18)4-6-16/h3-6H,2,7-14H2,1H3,(H,19,22)/p+1