3-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)sulfanylpropane-1,2-diol; pyridine-3-carboxylate

Systemtic Name: 3-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)sulfanylpropane-1,2-diol; pyridine-3-carboxylate Openeye Name: 3-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)sulfanylpropane-1,2-diol; pyridine-3-carboxylate CAS Name: 3-[[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]propane-1,2-diol; 3-pyridinecarboxylate IUPAC Name: 3-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)sulfanylpropane-1,2-diol; pyridine-3-carboxylate Traditional Name: 3-[(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)thio]propane-1,2-diol; nicotinate Formula: C16H26N2O6S MolecularWeight: 374.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CSCC(CO)O)O.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(CSCC(CO)O)O.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C10H21NO4S.C6H5NO2/c12-6-10(14)8-16-7-9(13)5-11-1-3-15-4-2-11;8-6(9)5-2-1-3-7-4-5/h9-10,12-14H,1-8H2;1-4H,(H,8,9)