2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-15(2)19-17(22)12-20-8-10-21(11-9-20)18(23)14-24-13-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,22)/p+1