1-chloranyl-6,7-dimethoxy-isoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-chloranyl-6,7-dimethoxy-isoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-chloro-6,7-dimethoxy-isoquinolin-2-ium; 2,2,2-trifluoroacetate CAS Name: 1-chloro-6,7-dimethoxyisoquinolin-2-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-chloro-6,7-dimethoxyisoquinolin-2-ium; 2,2,2-trifluoroacetate Traditional Name: 1-chloro-6,7-dimethoxy-isoquinolin-2-ium; 2,2,2-trifluoroacetate Formula: C13H11ClF3NO4 MolecularWeight: 337.67895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C[NH+]=C2Cl)OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C[NH+]=C2Cl)OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H10ClNO2.C2HF3O2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)