ethanedioate; 5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: ethanedioate; 5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: oxalate; 5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: oxalate; 5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: oxalate; 5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: oxalate; 5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-(2-thienyl)-1,2,4-oxadiazole Formula: C24H24N6O6S2 MolecularWeight: 556.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(=C1)C2=NC(=NO2)C3=CC=CS3.C1C[NH2+]CC(=C1)C2=NC(=NO2)C3=CC=CS3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1C[NH2+]CC(=C1)C2=NC(=NO2)C3=CC=CS3.C1C[NH2+]CC(=C1)C2=NC(=NO2)C3=CC=CS3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C11H11N3OS.C2H2O4/c2*1-3-8(7-12-5-1)11-13-10(14-15-11)9-4-2-6-16-9;3-1(4)2(5)6/h2*2-4,6,12H,1,5,7H2;(H,3,4)(H,5,6)