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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methylphenoxy)pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methylphenoxy)pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methylphenoxy)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methylphenoxy)pyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methylphenoxy)pyridin-1-ium iodide Formula: C28H26F2INO MolecularWeight: 557.413416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H26F2NO.HI/c1-21-4-14-26(15-5-21)32-27-16-19-31(20-17-27)18-2-3-28(22-6-10-24(29)11-7-22)23-8-12-25(30)13-9-23;/h4-17,19-20,28H,2-3,18H2,1H3;1H/q+1;/p-1