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

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(phenylthio)propionamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-3-23-13-15-24(16-14-23)19-11-9-18(10-12-19)22-21(25)17(2)26-20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1