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

Systemtic Name: 3-butyl-5-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; ethanedioate Openeye Name: 3-butyl-5-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate CAS Name: 3-butyl-5-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate IUPAC Name: 3-butyl-5-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Traditional Name: 3-butyl-5-(1-ethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,4-oxadiazole; oxalate Formula: C28H44N6O6 MolecularWeight: 560.68556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H21N3O.C2H2O4/c2*1-3-5-8-12-14-13(17-15-12)11-7-6-9-16(4-2)10-11;3-1(4)2(5)6/h2*7H,3-6,8-10H2,1-2H3;(H,3,4)(H,5,6)