1-heptyl-2,3,5,6-tetraphenyl-pyridin-1-ium tetrafluoroborate

Systemtic Name: 1-heptyl-2,3,5,6-tetraphenyl-pyridin-1-ium tetrafluoroborate Openeye Name: 1-heptyl-2,3,5,6-tetraphenyl-pyridin-1-ium tetrafluoroborate CAS Name: 1-heptyl-2,3,5,6-tetraphenylpyridin-1-ium tetrafluoroborate IUPAC Name: 1-heptyl-2,3,5,6-tetraphenylpyridin-1-ium tetrafluoroborate Traditional Name: 1-heptyl-2,3,5,6-tetraphenyl-pyridin-1-ium tetrafluoroborate Formula: C36H36BF4N MolecularWeight: 569.482353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCC[N+]1=C(C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCC[N+]1=C(C(=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H36N.BF4/c1-2-3-4-5-18-27-37-35(31-23-14-8-15-24-31)33(29-19-10-6-11-20-29)28-34(30-21-12-7-13-22-30)36(37)32-25-16-9-17-26-32;2-1(3,4)5/h6-17,19-26,28H,2-5,18,27H2,1H3;/q+1;-1