(2S)-4-methylsulfanyl-2-(piperidin-1-ylsulfonylazaniumyl)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(piperidin-1-ylsulfonylazaniumyl)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(1-piperidylsulfonylammonio)butanoate CAS Name: (2S)-4-(methylthio)-2-(1-piperidinylsulfonylammonio)butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(piperidin-1-ylsulfonylazaniumyl)butanoate Traditional Name: (2S)-4-(methylthio)-2-(piperidinosulfonylammonio)butyrate Formula: C10H20N2O4S2 MolecularWeight: 296.4068

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]S(=O)(=O)N1CCCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]S(=O)(=O)N1CCCCC1

InChI

InChI=1S/C10H20N2O4S2/c1-17-8-5-9(10(13)14)11-18(15,16)12-6-3-2-4-7-12/h9,11H,2-8H2,1H3,(H,13,14)/t9-/m0/s1