2-oxidanylpropane-1,2,3-tricarboxylate; 1-prop-2-enylpyridin-1-ium

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-prop-2-enylpyridin-1-ium Openeye Name: 1-allylpyridin-1-ium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-prop-2-enylpyridin-1-ium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-prop-2-enylpyridin-1-ium Traditional Name: 1-allylpyridin-1-ium citrate Formula: C14H15NO7-2 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N.C6H8O7/c1-2-6-9-7-4-3-5-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5,7-8H,1,6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3