2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-1-oxido-pyridin-1-ium CAS Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-1-oxidopyridin-1-ium Traditional Name: 2-[2-[3,5-bis(trifluoromethyl)benzyl]oxyethyl]-1-oxido-pyridin-1-ium Formula: C16H13F6NO2 MolecularWeight: 365.270339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCOCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CCOCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[O-]

InChI

InChI=1S/C16H13F6NO2/c17-15(18,19)12-7-11(8-13(9-12)16(20,21)22)10-25-6-4-14-3-1-2-5-23(14)24/h1-3,5,7-9H,4,6,10H2