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

Systemtic Name: ethanedioate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole; oxalate CAS Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole; oxalate IUPAC Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole; oxalate Traditional Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-propyl-1,2,5-thiadiazole; oxalate Formula: C24H36N6O4S2 MolecularWeight: 536.71044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NSN=C1C2=CCC[NH+](C2)C.CCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCC1=NSN=C1C2=CCC[NH+](C2)C.CCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C11H17N3S.C2H2O4/c2*1-3-5-10-11(13-15-12-10)9-6-4-7-14(2)8-9;3-1(4)2(5)6/h2*6H,3-5,7-8H2,1-2H3;(H,3,4)(H,5,6)