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

Systemtic Name: 3-cyclopropyl-5-(1-methylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole; ethanedioate Openeye Name: 3-cyclopropyl-5-(1-methylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-cyclopropyl-5-(1-methyl-4-piperidin-1-iumyl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-cyclopropyl-5-(1-methylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-cyclopropyl-5-(1-methylpiperidin-1-ium-4-yl)-1,2,4-oxadiazole; oxalate Formula: C24H36N6O6 MolecularWeight: 504.57924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=NC(=NO2)C3CC3.C[NH+]1CCC(CC1)C2=NC(=NO2)C3CC3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)C2=NC(=NO2)C3CC3.C[NH+]1CCC(CC1)C2=NC(=NO2)C3CC3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C11H17N3O.C2H2O4/c2*1-14-6-4-9(5-7-14)11-12-10(13-15-11)8-2-3-8;3-1(4)2(5)6/h2*8-9H,2-7H2,1H3;(H,3,4)(H,5,6)