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

Systemtic Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-tert-butylphenoxy)pyridin-1-ium iodide Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-tert-butylphenoxy)pyridin-1-ium iodide CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-tert-butylphenoxy)pyridin-1-ium iodide IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-tert-butylphenoxy)pyridin-1-ium iodide Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-tert-butylphenoxy)pyridin-1-ium iodide Formula: C31H32F2INO MolecularWeight: 599.493156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32F2NO.HI/c1-31(2,3)25-10-16-28(17-11-25)35-29-18-21-34(22-19-29)20-4-5-30(23-6-12-26(32)13-7-23)24-8-14-27(33)15-9-24;/h6-19,21-22,30H,4-5,20H2,1-3H3;1H/q+1;/p-1