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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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