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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC[NH+](CC2)C.CC1=NC(=NO1)C2=CC[NH+](CC2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC[NH+](CC2)C.CC1=NC(=NO1)C2=CC[NH+](CC2)C.C(=O)(C(=O)[O-])[O-]

InChI

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