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

Systemtic Name: ethanedioate; 5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-phenyl-1,2,4-oxadiazole; oxalate CAS Name: 5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-phenyl-1,2,4-oxadiazole; oxalate IUPAC Name: 5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-phenyl-1,2,4-oxadiazole; oxalate Traditional Name: 5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-3-phenyl-1,2,4-oxadiazole; oxalate Formula: C30H32N6O6 MolecularWeight: 572.61168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC=C(C1)C2=NC(=NO2)C3=CC=CC=C3.C[NH+]1CCC=C(C1)C2=NC(=NO2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CCC=C(C1)C2=NC(=NO2)C3=CC=CC=C3.C[NH+]1CCC=C(C1)C2=NC(=NO2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C14H15N3O.C2H2O4/c2*1-17-9-5-8-12(10-17)14-15-13(16-18-14)11-6-3-2-4-7-11;3-1(4)2(5)6/h2*2-4,6-8H,5,9-10H2,1H3;(H,3,4)(H,5,6)