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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-3-24-12-14-25(15-13-24)19-8-6-18(7-9-19)23-21(26)16(2)27-20-10-4-17(22)5-11-20/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1