N-(2-methylsulfanylethyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(methylthio)ethyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1CCC2=CC=CC=C2

Isomeric SMILES

CSCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O2S/c1-23-12-9-18-16(21)13-15-17(22)19-8-11-20(15)10-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,21)(H,19,22)/p+1/t15-/m1/s1