propanedioate; pyridin-1-ium

Systemtic Name: propanedioate; pyridin-1-ium Openeye Name: propanedioate; pyridin-1-ium CAS Name: propanedioate; pyridin-1-ium IUPAC Name: propanedioate; pyridin-1-ium Traditional Name: malonate; pyridin-1-ium Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H5N.C3H4O4/c2*1-2-4-6-5-3-1;4-2(5)1-3(6)7/h2*1-5H;1H2,(H,4,5)(H,6,7)