3-morpholin-4-ium-4-ylpropane-1-sulfonate; 1-morpholin-4-ylpropane-1-sulfonic acid

Systemtic Name: 3-morpholin-4-ium-4-ylpropane-1-sulfonate; 1-morpholin-4-ylpropane-1-sulfonic acid Openeye Name: 3-morpholin-4-ium-4-ylpropane-1-sulfonate; 1-morpholinopropane-1-sulfonic acid CAS Name: 3-(4-morpholin-4-iumyl)-1-propanesulfonate; 1-(4-morpholinyl)-1-propanesulfonic acid IUPAC Name: 3-morpholin-4-ium-4-ylpropane-1-sulfonate; 1-morpholin-4-ylpropane-1-sulfonic acid Traditional Name: 3-morpholin-4-ium-4-ylpropane-1-sulfonate; 1-morpholinopropane-1-sulfonic acid Formula: C14H30N2O8S2 MolecularWeight: 418.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCOCC1)S(=O)(=O)O.C1COCC[NH+]1CCCS(=O)(=O)[O-]

Isomeric SMILES

CCC(N1CCOCC1)S(=O)(=O)O.C1COCC[NH+]1CCCS(=O)(=O)[O-]

InChI

InChI=1S/2C7H15NO4S/c1-2-7(13(9,10)11)8-3-5-12-6-4-8;9-13(10,11)7-1-2-8-3-5-12-6-4-8/h7H,2-6H2,1H3,(H,9,10,11);1-7H2,(H,9,10,11)