methyl (2S)-1-(2-methylsulfanylethanoyl)-4-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-methylsulfanylethanoyl)-4-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(2-methylsulfanylacetyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-1-[2-(methylthio)-1-oxoethyl]-4-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-methylsulfanylacetyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-1-[2-(methylthio)acetyl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C15H26N3O4S+ MolecularWeight: 344.44964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)CSC)C(=O)C2CC[NH2+]CC2

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)CSC)C(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C15H25N3O4S/c1-22-15(21)12-9-17(7-8-18(12)13(19)10-23-2)14(20)11-3-5-16-6-4-11/h11-12,16H,3-10H2,1-2H3/p+1/t12-/m0/s1