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

Systemtic Name: ethanedioate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-1,2,5-thiadiazole; oxalate CAS Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-1,2,5-thiadiazole; oxalate IUPAC Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-pentyl-1,2,5-thiadiazole; oxalate Traditional Name: 3-amyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole; oxalate Formula: C28H44N6O4S2 MolecularWeight: 592.81676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NSN=C1C2=CCC[NH+](C2)C.CCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCC1=NSN=C1C2=CCC[NH+](C2)C.CCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C13H21N3S.C2H2O4/c2*1-3-4-5-8-12-13(15-17-14-12)11-7-6-9-16(2)10-11;3-1(4)2(5)6/h2*7H,3-6,8-10H2,1-2H3;(H,3,4)(H,5,6)