2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(phenylthio)ethyl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-20(22-11-16-27-19-9-5-2-6-10-19)17-23-12-14-24(15-13-23)21(26)18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)/p+1