1-ethylpyridin-1-ium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-ethylpyridin-1-ium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-ethylpyridin-1-ium citrate CAS Name: 1-ethylpyridin-1-ium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-ethylpyridin-1-ium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-ethylpyridin-1-ium citrate Formula: C13H15NO7-2 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC[N+]1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C7H10N.C6H8O7/c1-2-8-6-4-3-5-7-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7H,2H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3