3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole CAS Name: 2-hydroxy-2-oxoacetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole IUPAC Name: 2-hydroxy-2-oxoacetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole Traditional Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole binoxalate Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C11H17N3S.C2H2O4/c1-3-5-10-11(13-15-12-10)9-6-4-7-14(2)8-9;3-1(4)2(5)6/h6H,3-5,7-8H2,1-2H3;(H,3,4)(H,5,6)