azanium 1-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]cyclohexane-1-carboxylate

Systemtic Name: azanium 1-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]cyclohexane-1-carboxylate Openeye Name: ammonium 1-(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)cyclohexanecarboxylate CAS Name: ammonium 1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1-cyclohexanecarboxylate IUPAC Name: azanium 1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)cyclohexane-1-carboxylate Traditional Name: ammonium 1-(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-yl)cyclohexanecarboxylate Formula: C13H21N3O5 MolecularWeight: 299.32294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C2(CCCCC2)C(=O)[O-].[NH4+]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C2(CCCCC2)C(=O)[O-].[NH4+]

InChI

InChI=1S/C13H18N2O5.H3N/c1-14-9(16)8(10(17)15(2)12(14)20)13(11(18)19)6-4-3-5-7-13;/h8H,3-7H2,1-2H3,(H,18,19);1H3