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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-methoxyphenoxy)pyridin-1-ium Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-methoxyphenoxy)pyridin-1-ium CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-methoxyphenoxy)pyridin-1-ium IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-methoxyphenoxy)pyridin-1-ium Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-methoxyphenoxy)pyridin-1-ium Formula: C28H26F2NO2+ MolecularWeight: 446.508346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)OC2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H26F2NO2/c1-32-26-4-2-5-27(20-26)33-25-15-18-31(19-16-25)17-3-6-28(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h2,4-5,7-16,18-20,28H,3,6,17H2,1H3/q+1