(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoate CAS Name: (2S)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanoate IUPAC Name: (2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-(4-mesylpiperazin-1-ium-1-yl)propionate Formula: C8H16N2O4S MolecularWeight: 236.28864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C8H16N2O4S/c1-7(8(11)12)9-3-5-10(6-4-9)15(2,13)14/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m0/s1