2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-(phenylthio)propyl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2S/c1-15(21)20-11-9-19(10-12-20)14-17(22)18-8-5-13-23-16-6-3-2-4-7-16/h2-4,6-7H,5,8-14H2,1H3,(H,18,22)/p+1