N-(3-methylsulfanylpropyl)-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: N-[3-(methylthio)propyl]-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=C2

Isomeric SMILES

CSCCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=C2

InChI

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