(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3OS/c1-17(27-20-9-7-18(22)8-10-20)21(26)23-11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1