2-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]hexan-2-ol

Systemtic Name: 2-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]hexan-2-ol Openeye Name: 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]hexan-2-ol CAS Name: 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-pyridinyl]-2-hexanol IUPAC Name: 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]hexan-2-ol Traditional Name: 2-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]hexan-2-ol Formula: C26H28F4N2O4 MolecularWeight: 508.505133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C1=NC=C(C=C1)C(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC(F)F)OC(F)F)O

Isomeric SMILES

CCCCC(C)(C1=NC=C(C=C1)C(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC(F)F)OC(F)F)O

InChI

InChI=1S/C26H28F4N2O4/c1-3-4-11-26(2,33)23-8-6-19(16-31-23)20(14-17-9-12-32(34)13-10-17)18-5-7-21(35-24(27)28)22(15-18)36-25(29)30/h5-10,12-13,15-16,20,24-25,33H,3-4,11,14H2,1-2H3