2-(9-ethyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(9-ethyl-7-fluoranyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(9-ethyl-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(9-ethyl-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(9-ethyl-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(9-ethyl-7-fluoro-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C19H20FNO2 MolecularWeight: 313.366003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)F)C(=CC(CO2)(C)C)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCC1=C2C(=CC(=C1)F)C(=CC(CO2)(C)C)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H20FNO2/c1-4-13-9-14(20)10-15-16(17-7-5-6-8-21(17)22)11-19(2,3)12-23-18(13)15/h5-11H,4,12H2,1-3H3