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

Systemtic Name: sodium; 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; ethanedioate; 5-ethyl-4,6-bis(oxidanylidene)-5-pentan-2-yl-1H-pyrimidin-2-olate Openeye Name: sodium; 4-amino-1-benzyl-piperidine-4-carboxylate; 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate; oxalate CAS Name: sodium; 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; oxalate IUPAC Name: sodium; 4-amino-1-benzylpiperidine-4-carboxylate; 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate; oxalate Traditional Name: sodium; 4-amino-1-benzyl-isonipecotate; 5-ethyl-4,6-diketo-5-(1-methylbutyl)-1H-pyrimidin-2-olate; oxalate Formula: C26H34N4NaO9-3 MolecularWeight: 569.55933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.C1CN(CCC1(C(=O)[O-])N)CC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-].[Na+]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.C1CN(CCC1(C(=O)[O-])N)CC2=CC=CC=C2.C(=O)(C(=O)[O-])[O-].[Na+]

InChI

InChI=1S/C13H18N2O2.C11H18N2O3.C2H2O4.Na/c14-13(12(16)17)6-8-15(9-7-13)10-11-4-2-1-3-5-11;1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;3-1(4)2(5)6;/h1-5H,6-10,14H2,(H,16,17);7H,4-6H2,1-3H3,(H2,12,13,14,15,16);(H,3,4)(H,5,6);/q;;;+1/p-4