(2S)-1-(4-methylphenoxy)sulfonylpiperidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-(4-methylphenoxy)sulfonylpiperidin-1-ium-2-carboxylate Openeye Name: (2S)-1-(4-methylphenoxy)sulfonylpiperidin-1-ium-2-carboxylate CAS Name: (2S)-1-(4-methylphenoxy)sulfonyl-2-piperidin-1-iumcarboxylate IUPAC Name: (2S)-1-(4-methylphenoxy)sulfonylpiperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-methylphenoxy)sulfonylpiperidin-1-ium-2-carboxylate Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)[NH+]2CCCCC2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)[NH+]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C13H17NO5S/c1-10-5-7-11(8-6-10)19-20(17,18)14-9-3-2-4-12(14)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16)/t12-/m0/s1