2-[3,3-dimethyl-8-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[3,3-dimethyl-8-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[3,3-dimethyl-8-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxido-pyridin-1-ium CAS Name: 2-[3,3-dimethyl-8-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium IUPAC Name: 2-[3,3-dimethyl-8-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium Traditional Name: 2-[3,3-dimethyl-8-(trifluoromethyl)-2H-1-benzoxepin-5-yl]-1-oxido-pyridin-1-ium Formula: C18H16F3NO2 MolecularWeight: 335.32035

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)C(F)(F)F)C(=C1)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)C(F)(F)F)C(=C1)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C18H16F3NO2/c1-17(2)10-14(15-5-3-4-8-22(15)23)13-7-6-12(18(19,20)21)9-16(13)24-11-17/h3-10H,11H2,1-2H3