(2S)-3-methyl-2-thiomorpholin-4-ium-4-yl-butanoate

Systemtic Name: (2S)-3-methyl-2-thiomorpholin-4-ium-4-yl-butanoate Openeye Name: (2S)-3-methyl-2-thiomorpholin-4-ium-4-yl-butanoate CAS Name: (2S)-3-methyl-2-(4-thiomorpholin-4-iumyl)butanoate IUPAC Name: (2S)-3-methyl-2-thiomorpholin-4-ium-4-ylbutanoate Traditional Name: (2S)-3-methyl-2-thiomorpholin-4-ium-4-yl-butyrate Formula: C9H17NO2S MolecularWeight: 203.30178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCSCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCSCC1

InChI

InChI=1S/C9H17NO2S/c1-7(2)8(9(11)12)10-3-5-13-6-4-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1