isoquinolin-2-ium-5-carbonitrile; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: isoquinolin-2-ium-5-carbonitrile; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: isoquinolin-2-ium-5-carbonitrile; 2,2,2-trifluoroacetate CAS Name: 5-isoquinolin-2-iumcarbonitrile; 2,2,2-trifluoroacetate IUPAC Name: isoquinolin-2-ium-5-carbonitrile; 2,2,2-trifluoroacetate Traditional Name: isoquinolin-2-ium-5-carbonitrile; 2,2,2-trifluoroacetate Formula: C12H7F3N2O2 MolecularWeight: 268.19139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C[NH+]=CC2=C1)C#N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=C2C=C[NH+]=CC2=C1)C#N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H6N2.C2HF3O2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9;3-2(4,5)1(6)7/h1-5,7H;(H,6,7)