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

Systemtic Name: N-methyl-2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-methyl-2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-17-15(20)11-18-7-9-19(10-8-18)16(21)13-22-12-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20)/p+1