1-(carboxymethyl)piperidin-1-ium-4-carboxylic acid sulfate

Systemtic Name: 1-(carboxymethyl)piperidin-1-ium-4-carboxylic acid sulfate Openeye Name: 1-(carboxymethyl)piperidin-1-ium-4-carboxylic acid sulfate CAS Name: 1-(carboxymethyl)-4-piperidin-1-iumcarboxylic acid sulfate IUPAC Name: 1-(carboxymethyl)piperidin-1-ium-4-carboxylic acid sulfate Traditional Name: 1-(carboxymethyl)piperidin-1-ium-4-carboxylic acid sulfate Formula: C16H28N2O12S MolecularWeight: 472.46472

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)O)CC(=O)O.C1C[NH+](CCC1C(=O)O)CC(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)O)CC(=O)O.C1C[NH+](CCC1C(=O)O)CC(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H13NO4.H2O4S/c2*10-7(11)5-9-3-1-6(2-4-9)8(12)13;1-5(2,3)4/h2*6H,1-5H2,(H,10,11)(H,12,13);(H2,1,2,3,4)