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

Systemtic Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-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-octyl-1,2,5-thiadiazole CAS Name: 2-hydroxy-2-oxoacetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole IUPAC Name: 2-hydroxy-2-oxoacetate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole Traditional Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole binoxalate Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H27N3S.C2H2O4/c1-3-4-5-6-7-8-11-15-16(18-20-17-15)14-10-9-12-19(2)13-14;3-1(4)2(5)6/h10H,3-9,11-13H2,1-2H3;(H,3,4)(H,5,6)