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

Systemtic Name: 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; ethanedioate Openeye Name: 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-cyclopropyl-5-(1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C22H28N6O6 MolecularWeight: 472.49432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(=C1)C2=NC(=NO2)C3CC3.C1C[NH2+]CC(=C1)C2=NC(=NO2)C3CC3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1C[NH2+]CC(=C1)C2=NC(=NO2)C3CC3.C1C[NH2+]CC(=C1)C2=NC(=NO2)C3CC3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C10H13N3O.C2H2O4/c2*1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7;3-1(4)2(5)6/h2*2,7,11H,1,3-6H2;(H,3,4)(H,5,6)