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

Systemtic Name: 4-[2-[[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]amino]propan-2-yl]phenol Openeye Name: 4-[1-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]amino]-1-methyl-ethyl]phenol CAS Name: 4-[2-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-pyridinyl]amino]propan-2-yl]phenol IUPAC Name: 4-[2-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]amino]propan-2-yl]phenol Traditional Name: 4-[1-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]amino]-1-methyl-ethyl]phenol Formula: C29H27F4N3O4 MolecularWeight: 557.535993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)O)NC2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)O)NC2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F

InChI

InChI=1S/C29H27F4N3O4/c1-29(2,21-5-7-22(37)8-6-21)35-26-10-4-20(17-34-26)23(15-18-11-13-36(38)14-12-18)19-3-9-24(39-27(30)31)25(16-19)40-28(32)33/h3-14,16-17,23,27-28,37H,15H2,1-2H3,(H,34,35)