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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-phenylsulfanyl-pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-phenylsulfanyl-pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(phenylthio)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-phenylsulfanylpyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(phenylthio)pyridin-1-ium iodide Formula: C27H24F2INS MolecularWeight: 559.452436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[I-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.[I-]

InChI

InChI=1S/C27H24F2NS.HI/c28-23-12-8-21(9-13-23)27(22-10-14-24(29)15-11-22)7-4-18-30-19-16-26(17-20-30)31-25-5-2-1-3-6-25;/h1-3,5-6,8-17,19-20,27H,4,7,18H2;1H/q+1;/p-1