ethanedioate; 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-prop-2-enoxy-1,2,5-thiadiazole

Systemtic Name: ethanedioate; 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-prop-2-enoxy-1,2,5-thiadiazole Openeye Name: 3-allyloxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate CAS Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-prop-2-enoxy-1,2,5-thiadiazole; oxalate IUPAC Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-prop-2-enoxy-1,2,5-thiadiazole; oxalate Traditional Name: 3-allyloxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=C[NH2+]C1)C2=NSN=C2OCC=C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CC(=C[NH2+]C1)C2=NSN=C2OCC=C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C10H14N4OS.C2H2O4/c1-3-4-15-10-9(12-16-13-10)8-5-11-7-14(2)6-8;3-1(4)2(5)6/h3,5,11H,1,4,6-7H2,2H3;(H,3,4)(H,5,6)