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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chloranylphenoxy)pyridin-1-ium Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chlorophenoxy)pyridin-1-ium CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chlorophenoxy)pyridin-1-ium IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chlorophenoxy)pyridin-1-ium Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chlorophenoxy)pyridin-1-ium Formula: C27H23ClF2NO+ MolecularWeight: 450.927426

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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)Cl)C4=CC=C(C=C4)F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCC[N+]2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C27H23ClF2NO/c28-22-7-13-25(14-8-22)32-26-15-18-31(19-16-26)17-1-2-27(20-3-9-23(29)10-4-20)21-5-11-24(30)12-6-21/h3-16,18-19,27H,1-2,17H2/q+1