2-hydroxyethyl(trimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-hydroxyethyl(trimethyl)ammonium citrate CAS Name: 2-hydroxyethyl(trimethyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxyethyl(trimethyl)ammonium citrate Formula: C21H47N3O10 MolecularWeight: 501.61198

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H8O7.3C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*7H,4-5H2,1-3H3/q;3*+1/p-3