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

Systemtic Name: ethanedioate; 3-methyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole Openeye Name: 3-methyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-methyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-methyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-methyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C24H36N6O6 MolecularWeight: 504.57924

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC=C(C1)C2=NC(=NO2)C.CCC[NH+]1CCC=C(C1)C2=NC(=NO2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC[NH+]1CCC=C(C1)C2=NC(=NO2)C.CCC[NH+]1CCC=C(C1)C2=NC(=NO2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C11H17N3O.C2H2O4/c2*1-3-6-14-7-4-5-10(8-14)11-12-9(2)13-15-11;3-1(4)2(5)6/h2*5H,3-4,6-8H2,1-2H3;(H,3,4)(H,5,6)