propanedioate; quinolin-1-ium

Systemtic Name: propanedioate; quinolin-1-ium Openeye Name: propanedioate; quinolin-1-ium CAS Name: propanedioate; quinolin-1-ium IUPAC Name: propanedioate; quinolin-1-ium Traditional Name: malonate; quinolin-1-ium Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2.C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[NH+]2.C1=CC=C2C(=C1)C=CC=[NH+]2.C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C9H7N.C3H4O4/c2*1-2-6-9-8(4-1)5-3-7-10-9;4-2(5)1-3(6)7/h2*1-7H;1H2,(H,4,5)(H,6,7)