2-oxidanylpropane-1,2,3-tricarboxylic acid; 1-propan-2-ylpyridin-1-ium

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1-propan-2-ylpyridin-1-ium Openeye Name: citric acid; 1-isopropylpyridin-1-ium CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-propan-2-ylpyridin-1-ium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-propan-2-ylpyridin-1-ium Traditional Name: citric acid; 1-isopropylpyridin-1-ium Formula: C14H20NO7+ MolecularWeight: 314.3111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N.C6H8O7/c1-8(2)9-6-4-3-5-7-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8H,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;