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

Systemtic Name: ethanedioate; 3-hex-5-enyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole Openeye Name: 3-hex-5-enyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole; oxalate CAS Name: 3-hex-5-enyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole; oxalate IUPAC Name: 3-hex-5-enyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole; oxalate Traditional Name: 3-hex-5-enyl-4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazole; oxalate Formula: C30H44N6O4S2 MolecularWeight: 616.83816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC=C(C1)C2=NSN=C2CCCCC=C.C[NH+]1CCC=C(C1)C2=NSN=C2CCCCC=C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CCC=C(C1)C2=NSN=C2CCCCC=C.C[NH+]1CCC=C(C1)C2=NSN=C2CCCCC=C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C14H21N3S.C2H2O4/c2*1-3-4-5-6-9-13-14(16-18-15-13)12-8-7-10-17(2)11-12;3-1(4)2(5)6/h2*3,8H,1,4-7,9-11H2,2H3;(H,3,4)(H,5,6)