sodium; 4-azanylpiperidine-4-carboxylate; ethanedioate; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate

Systemtic Name: sodium; 4-azanylpiperidine-4-carboxylate; ethanedioate; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium; 4-aminopiperidine-4-carboxylate; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; oxalate CAS Name: sodium; 4-amino-4-piperidinecarboxylate; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; oxalate IUPAC Name: sodium; 4-aminopiperidine-4-carboxylate; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; oxalate Traditional Name: sodium; 4-aminoisonipecotate; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate; oxalate Formula: C19H28N4NaO9-3 MolecularWeight: 479.43679

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.C1CNCCC1(C(=O)[O-])N.C(=O)(C(=O)[O-])[O-].[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.C1CNCCC1(C(=O)[O-])N.C(=O)(C(=O)[O-])[O-].[Na+]

InChI

InChI=1S/C11H18N2O3.C6H12N2O2.C2H2O4.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;7-6(5(9)10)1-3-8-4-2-6;3-1(4)2(5)6;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);8H,1-4,7H2,(H,9,10);(H,3,4)(H,5,6);/q;;;+1/p-4