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

Systemtic Name: ethanedioate; 3-ethyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole Openeye Name: 3-ethyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-ethyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-ethyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-ethyl-5-(1-propyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C26H40N6O6 MolecularWeight: 532.6324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H19N3O.C2H2O4/c2*1-3-7-15-8-5-6-10(9-15)12-13-11(4-2)14-16-12;3-1(4)2(5)6/h2*6H,3-5,7-9H2,1-2H3;(H,3,4)(H,5,6)