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

Systemtic Name: 3-butyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; ethanedioate Openeye Name: 3-butyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-butyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-butyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-butyl-5-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C26H40N6O6 MolecularWeight: 532.6324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)C2=CCC[NH+](C2)C.CCCCC1=NOC(=N1)C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCC1=NOC(=N1)C2=CCC[NH+](C2)C.CCCCC1=NOC(=N1)C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C12H19N3O.C2H2O4/c2*1-3-4-7-11-13-12(16-14-11)10-6-5-8-15(2)9-10;3-1(4)2(5)6/h2*6H,3-5,7-9H2,1-2H3;(H,3,4)(H,5,6)