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

Systemtic Name: isoquinolin-2-ium; 2,2,2-tris(chloranyl)ethanoate Openeye Name: isoquinolin-2-ium; 2,2,2-trichloroacetate CAS Name: isoquinolin-2-ium; 2,2,2-trichloroacetate IUPAC Name: isoquinolin-2-ium; 2,2,2-trichloroacetate Traditional Name: isoquinolin-2-ium; 2,2,2-trichloroacetate Formula: C11H8Cl3NO2 MolecularWeight: 292.54572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N.C2HCl3O2/c1-2-4-9-7-10-6-5-8(9)3-1;3-2(4,5)1(6)7/h1-7H;(H,6,7)