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

Systemtic Name: ethanedioate; 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-pentoxy-1,2,5-thiadiazole Openeye Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-pentoxy-1,2,5-thiadiazole; oxalate CAS Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-pentoxy-1,2,5-thiadiazole; oxalate IUPAC Name: 3-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-4-pentoxy-1,2,5-thiadiazole; oxalate Traditional Name: 3-amoxy-4-(3-methyl-1,2,3,4-tetrahydropyrimidine-1,3-diium-5-yl)-1,2,5-thiadiazole; oxalate Formula: C14H22N4O5S MolecularWeight: 358.41328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NSN=C1C2=C[NH2+]C[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCOC1=NSN=C1C2=C[NH2+]C[NH+](C2)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C12H20N4OS.C2H2O4/c1-3-4-5-6-17-12-11(14-18-15-12)10-7-13-9-16(2)8-10;3-1(4)2(5)6/h7,13H,3-6,8-9H2,1-2H3;(H,3,4)(H,5,6)