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

Systemtic Name: 1-methylpyridin-1-ium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-methylpyridin-1-ium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-methylpyridin-1-ium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-methylpyridin-1-ium Traditional Name: 1-methylpyridin-1-ium citrate Formula: C12H13NO7-2 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N.C6H8O7/c1-7-5-3-2-4-6-7;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-6H,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3