1-butyl-2-(3-iodanylphenyl)-4,6-diphenyl-pyridin-1-ium tetrafluoroborate

Systemtic Name: 1-butyl-2-(3-iodanylphenyl)-4,6-diphenyl-pyridin-1-ium tetrafluoroborate Openeye Name: 1-butyl-2-(3-iodophenyl)-4,6-diphenyl-pyridin-1-ium tetrafluoroborate CAS Name: 1-butyl-2-(3-iodophenyl)-4,6-diphenylpyridin-1-ium tetrafluoroborate IUPAC Name: 1-butyl-2-(3-iodophenyl)-4,6-diphenylpyridin-1-ium tetrafluoroborate Traditional Name: 1-butyl-2-(3-iodophenyl)-4,6-diphenyl-pyridin-1-ium tetrafluoroborate Formula: C27H25BF4IN MolecularWeight: 577.203183

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCC[N+]1=C(C=C(C=C1C2=CC(=CC=C2)I)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CCCC[N+]1=C(C=C(C=C1C2=CC(=CC=C2)I)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25IN.BF4/c1-2-3-17-29-26(22-13-8-5-9-14-22)19-24(21-11-6-4-7-12-21)20-27(29)23-15-10-16-25(28)18-23;2-1(3,4)5/h4-16,18-20H,2-3,17H2,1H3;/q+1;-1