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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-nitrophenoxy)pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-nitrophenoxy)pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-nitrophenoxy)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-nitrophenoxy)pyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-nitrophenoxy)pyridin-1-ium iodide Formula: C27H23F2IN2O3 MolecularWeight: 588.384396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCC[N+]2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F)F.[I-]

Isomeric SMILES

C1=CC(=CC=C1C(CCC[N+]2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F)F.[I-]

InChI

InChI=1S/C27H23F2N2O3.HI/c28-22-7-3-20(4-8-22)27(21-5-9-23(29)10-6-21)2-1-17-30-18-15-26(16-19-30)34-25-13-11-24(12-14-25)31(32)33;/h3-16,18-19,27H,1-2,17H2;1H/q+1;/p-1