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

Systemtic Name: ethanedioate; 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole Openeye Name: 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-ethyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C22H32N6O6 MolecularWeight: 476.52608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)C2=CC(C[NH2+]C2)C.CCC1=NOC(=N1)C2=CC(C[NH2+]C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCC1=NOC(=N1)C2=CC(C[NH2+]C2)C.CCC1=NOC(=N1)C2=CC(C[NH2+]C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C10H15N3O.C2H2O4/c2*1-3-9-12-10(14-13-9)8-4-7(2)5-11-6-8;3-1(4)2(5)6/h2*4,7,11H,3,5-6H2,1-2H3;(H,3,4)(H,5,6)