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

Systemtic Name: ethanedioate; 3-methyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole Openeye Name: 3-methyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-methyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-methyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-methyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C20H28N6O6 MolecularWeight: 448.47292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2=CCC[NH+](C2)C.CC1=NOC(=N1)C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=NOC(=N1)C2=CCC[NH+](C2)C.CC1=NOC(=N1)C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C9H13N3O.C2H2O4/c2*1-7-10-9(13-11-7)8-4-3-5-12(2)6-8;3-1(4)2(5)6/h2*4H,3,5-6H2,1-2H3;(H,3,4)(H,5,6)