1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chloranylphenoxy)pyridin-1-ium

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chloranylphenoxy)pyridin-1-ium Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)pyridin-1-ium CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)pyridin-1-ium IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)pyridin-1-ium Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)pyridin-1-ium Formula: C27H23ClF2NO+ MolecularWeight: 450.927426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H23ClF2NO/c28-22-3-1-4-26(19-22)32-25-14-17-31(18-15-25)16-2-5-27(20-6-10-23(29)11-7-20)21-8-12-24(30)13-9-21/h1,3-4,6-15,17-19,27H,2,5,16H2/q+1