1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium iodide

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium iodide Formula: C28H26F2INO2 MolecularWeight: 573.412816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[I-]

InChI

InChI=1S/C28H26F2NO2.HI/c1-32-25-12-14-26(15-13-25)33-27-16-19-31(20-17-27)18-2-3-28(21-4-8-23(29)9-5-21)22-6-10-24(30)11-7-22;/h4-17,19-20,28H,2-3,18H2,1H3;1H/q+1;/p-1