5-nitro-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole tetrafluoroborate

Systemtic Name: 5-nitro-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole tetrafluoroborate Openeye Name: 5-nitro-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole tetrafluoroborate CAS Name: 5-nitro-3-[2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl]-1H-indole tetrafluoroborate IUPAC Name: 5-nitro-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole tetrafluoroborate Traditional Name: 5-nitro-3-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]-1H-indole tetrafluoroborate Formula: C33H26BF4N3O2 MolecularWeight: 583.383053

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=CNC5=C4C=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCC4=CNC5=C4C=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C33H26N3O2.BF4/c37-36(38)29-16-17-31-30(22-29)27(23-34-31)18-19-35-32(25-12-6-2-7-13-25)20-28(24-10-4-1-5-11-24)21-33(35)26-14-8-3-9-15-26;2-1(3,4)5/h1-17,20-23,34H,18-19H2;/q+1;-1