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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-phenylphenoxy)pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-phenylphenoxy)pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-phenylphenoxy)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-phenylphenoxy)pyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-phenylphenoxy)pyridin-1-ium iodide Formula: C33H28F2INO MolecularWeight: 619.482796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.[I-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.[I-]

InChI

InChI=1S/C33H28F2NO.HI/c34-29-14-8-27(9-15-29)33(28-10-16-30(35)17-11-28)7-4-22-36-23-20-32(21-24-36)37-31-18-12-26(13-19-31)25-5-2-1-3-6-25;/h1-3,5-6,8-21,23-24,33H,4,7,22H2;1H/q+1;/p-1