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

Systemtic Name: 1-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]-1-cyclohexyl-2,2,2-tris(fluoranyl)ethanol Openeye Name: 1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]-1-cyclohexyl-2,2,2-trifluoro-ethanol CAS Name: 1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-pyridinyl]-1-cyclohexyl-2,2,2-trifluoroethanol IUPAC Name: 1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]-1-cyclohexyl-2,2,2-trifluoroethanol Traditional Name: 1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]-1-cyclohexyl-2,2,2-trifluoro-ethanol Formula: C28H27F7N2O4 MolecularWeight: 588.513802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F)(C(F)(F)F)O

Isomeric SMILES

C1CCC(CC1)C(C2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F)(C(F)(F)F)O

InChI

InChI=1S/C28H27F7N2O4/c29-25(30)40-22-8-6-18(15-23(22)41-26(31)32)21(14-17-10-12-37(39)13-11-17)19-7-9-24(36-16-19)27(38,28(33,34)35)20-4-2-1-3-5-20/h6-13,15-16,20-21,25-26,38H,1-5,14H2