2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylethyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(benzylthio)ethyl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NCCSCC2=CC=CC=C2

InChI

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