1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxyphenoxy)pyridin-1-ium iodide

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxyphenoxy)pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxyphenoxy)pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxyphenoxy)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxyphenoxy)pyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxyphenoxy)pyridin-1-ium iodide Formula: C28H26F2INO2 MolecularWeight: 573.412816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[I-]

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[I-]

InChI

InChI=1S/C28H26F2NO2.HI/c1-32-27-6-2-3-7-28(27)33-25-16-19-31(20-17-25)18-4-5-26(21-8-12-23(29)13-9-21)22-10-14-24(30)15-11-22;/h2-3,6-17,19-20,26H,4-5,18H2,1H3;1H/q+1;/p-1