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

Systemtic Name: ethanedioate; 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole; oxalate CAS Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole; oxalate IUPAC Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole; oxalate Traditional Name: 3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-octyl-1,2,5-thiadiazole; oxalate Formula: C34H56N6O4S2 MolecularWeight: 676.97624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NSN=C1C2=CCC[NH+](C2)C.CCCCCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCCCC1=NSN=C1C2=CCC[NH+](C2)C.CCCCCCCCC1=NSN=C1C2=CCC[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C16H27N3S.C2H2O4/c2*1-3-4-5-6-7-8-11-15-16(18-20-17-15)14-10-9-12-19(2)13-14;3-1(4)2(5)6/h2*10H,3-9,11-13H2,1-2H3;(H,3,4)(H,5,6)