3-(4-chlorophenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-2-24-12-14-25(15-13-24)20-6-4-3-5-19(20)23-21(26)11-16-27-18-9-7-17(22)8-10-18/h3-10H,2,11-16H2,1H3,(H,23,26)/p+1