3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-7-(trifluoromethyl)-2,4-dihydro-1-benzoxepin-5-ol

Systemtic Name: 3,3-dimethyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-7-(trifluoromethyl)-2,4-dihydro-1-benzoxepin-5-ol Openeye Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-(trifluoromethyl)-2,4-dihydro-1-benzoxepin-5-ol CAS Name: 3,3-dimethyl-5-(1-oxido-2-pyridin-1-iumyl)-7-(trifluoromethyl)-2,4-dihydro-1-benzoxepin-5-ol IUPAC Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-(trifluoromethyl)-2,4-dihydro-1-benzoxepin-5-ol Traditional Name: 3,3-dimethyl-5-(1-oxidopyridin-1-ium-2-yl)-7-(trifluoromethyl)-2,4-dihydro-1-benzoxepin-5-ol Formula: C18H18F3NO3 MolecularWeight: 353.33563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C=CC(=C2)C(F)(F)F)OC1)(C3=CC=CC=[N+]3[O-])O)C

Isomeric SMILES

CC1(CC(C2=C(C=CC(=C2)C(F)(F)F)OC1)(C3=CC=CC=[N+]3[O-])O)C

InChI

InChI=1S/C18H18F3NO3/c1-16(2)10-17(23,15-5-3-4-8-22(15)24)13-9-12(18(19,20)21)6-7-14(13)25-11-16/h3-9,23H,10-11H2,1-2H3