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

Systemtic Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-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-pentyl-1,2,5-thiadiazole CAS Name: 2-hydroxy-2-oxoacetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-1,2,5-thiadiazole IUPAC Name: 2-hydroxy-2-oxoacetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-1,2,5-thiadiazole Traditional Name: 3-amyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole binoxalate Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H21N3S.C2H2O4/c1-3-4-5-8-12-13(15-17-14-12)11-7-6-9-16(2)10-11;3-1(4)2(5)6/h7H,3-6,8-10H2,1-2H3;(H,3,4)(H,5,6)