N-(2-methylsulfanylethyl)-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-[(2S)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-methylsulfanylethyl)-2-[(2S)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(methylthio)ethyl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C14H22N3O2S2+ MolecularWeight: 328.47338

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CS2

Isomeric SMILES

CSCCNC(=O)C[C@H]1C(=O)NCC[NH+]1CC2=CC=CS2

InChI

InChI=1S/C14H21N3O2S2/c1-20-8-5-15-13(18)9-12-14(19)16-4-6-17(12)10-11-3-2-7-21-11/h2-3,7,12H,4-6,8-10H2,1H3,(H,15,18)(H,16,19)/p+1/t12-/m0/s1