methyl (2S)-4-(2-methylsulfanylethanoyl)piperazin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-4-(2-methylsulfanylethanoyl)piperazin-1-ium-2-carboxylate Openeye Name: methyl (2S)-4-(2-methylsulfanylacetyl)piperazin-1-ium-2-carboxylate CAS Name: (2S)-4-[2-(methylthio)-1-oxoethyl]-2-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(2-methylsulfanylacetyl)piperazin-1-ium-2-carboxylate Traditional Name: (2S)-4-[2-(methylthio)acetyl]piperazin-1-ium-2-carboxylic acid methyl ester Formula: C9H17N2O3S+ MolecularWeight: 233.30788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC[NH2+]1)C(=O)CSC

Isomeric SMILES

COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)CSC

InChI

InChI=1S/C9H16N2O3S/c1-14-9(13)7-5-11(4-3-10-7)8(12)6-15-2/h7,10H,3-6H2,1-2H3/p+1/t7-/m0/s1