1-methylpyridin-1-ium-3-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-methylpyridin-1-ium-3-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-methylpyridin-1-ium-3-carboxamide CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methylpyridin-1-ium-3-carboxamide Traditional Name: citric acid; 1-methylpyridin-1-ium-3-carboxamide Formula: C13H17N2O8+ MolecularWeight: 329.28268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N2O.C6H8O7/c1-9-4-2-3-6(5-9)7(8)10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5H,1H3,(H-,8,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p+1