(2S,3S)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[(3R)-3-methyl-1-piperidyl]sulfonylammonio]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(3R)-3-methyl-1-piperidinyl]sulfonylammonio]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylazaniumyl]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[(3R)-3-methylpiperidino]sulfonylammonio]butyrate Formula: C10H20N2O5S MolecularWeight: 280.3412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O5S/c1-7-4-3-5-12(6-7)18(16,17)11-9(8(2)13)10(14)15/h7-9,11,13H,3-6H2,1-2H3,(H,14,15)/t7-,8+,9+/m1/s1