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

Systemtic Name: isoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: isoquinolin-2-ium; 2,2,2-trifluoroacetate CAS Name: isoquinolin-2-ium; 2,2,2-trifluoroacetate IUPAC Name: isoquinolin-2-ium; 2,2,2-trifluoroacetate Traditional Name: isoquinolin-2-ium; 2,2,2-trifluoroacetate Formula: C11H8F3NO2 MolecularWeight: 243.18193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N.C2HF3O2/c1-2-4-9-7-10-6-5-8(9)3-1;3-2(4,5)1(6)7/h1-7H;(H,6,7)