4-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]isoquinolin-4-ium-3-olate

Systemtic Name: 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]isoquinolin-4-ium-3-olate Openeye Name: 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]isoquinolin-4-ium-3-olate CAS Name: 4-ethyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolo[4,3-c]isoquinolin-4-iumolate IUPAC Name: 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]isoquinolin-4-ium-3-olate Traditional Name: 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyrazol[4,3-c]isoquinolin-4-ium-3-olate Formula: C19H14F3N3O MolecularWeight: 357.32917

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC2=CC=CC=C2C3=NN(C(=C31)[O-])C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC[N+]1=CC2=CC=CC=C2C3=NN(C(=C31)[O-])C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O/c1-2-24-11-12-5-3-4-6-15(12)16-17(24)18(26)25(23-16)14-9-7-13(8-10-14)19(20,21)22/h3-11H,2H2,1H3