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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(C=CC(=C2)C(F)(F)F)OC1C)(C3=CC=CC=[N+]3[O-])O

Isomeric SMILES

CC1CC(C2=C(C=CC(=C2)C(F)(F)F)OC1C)(C3=CC=CC=[N+]3[O-])O

InChI

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