3,3-dimethyl-2-oxidanidyl-7-(trifluoromethyl)-4H-isoquinolin-2-ium

Systemtic Name: 3,3-dimethyl-2-oxidanidyl-7-(trifluoromethyl)-4H-isoquinolin-2-ium Openeye Name: 3,3-dimethyl-2-oxido-7-(trifluoromethyl)-4H-isoquinolin-2-ium CAS Name: 3,3-dimethyl-2-oxido-7-(trifluoromethyl)-4H-isoquinolin-2-ium IUPAC Name: 3,3-dimethyl-2-oxido-7-(trifluoromethyl)-4H-isoquinolin-2-ium Traditional Name: 3,3-dimethyl-2-oxido-7-(trifluoromethyl)-4H-isoquinolin-2-ium Formula: C12H12F3NO MolecularWeight: 243.22499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)C(F)(F)F)C=[N+]1[O-])C

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)C(F)(F)F)C=[N+]1[O-])C

InChI

InChI=1S/C12H12F3NO/c1-11(2)6-8-3-4-10(12(13,14)15)5-9(8)7-16(11)17/h3-5,7H,6H2,1-2H3