(2S)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3R)-3-methyl-1-piperidyl]sulfonylammonio]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3R)-3-methyl-1-piperidinyl]sulfonylammonio]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3R)-3-methylpiperidino]sulfonylammonio]-4-(methylthio)butyrate Formula: C11H22N2O4S2 MolecularWeight: 310.43338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)[NH2+][C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C11H22N2O4S2/c1-9-4-3-6-13(8-9)19(16,17)12-10(11(14)15)5-7-18-2/h9-10,12H,3-8H2,1-2H3,(H,14,15)/t9-,10+/m1/s1