3-ethylpentan-3-ylazanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-ethylpentan-3-ylazanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1,1-diethylpropylammonium citrate CAS Name: 3-ethylpentan-3-ylammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-ethylpentan-3-ylazanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1,1-diethylpropylammonium citrate Formula: C13H23NO7-2 MolecularWeight: 305.32422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(CC)(CC)[NH3+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C7H17N.C6H8O7/c1-4-7(8,5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2