2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(2S)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(2S)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C18H26N3O2S+ MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1C2CC3=CC=CC=C3C2

Isomeric SMILES

CSCCNC(=O)C[C@H]1C(=O)NCC[NH+]1C2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H25N3O2S/c1-24-9-7-19-17(22)12-16-18(23)20-6-8-21(16)15-10-13-4-2-3-5-14(13)11-15/h2-5,15-16H,6-12H2,1H3,(H,19,22)(H,20,23)/p+1/t16-/m0/s1