2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanethiol tetrafluoroborate

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanethiol tetrafluoroborate Openeye Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanethiol tetrafluoroborate CAS Name: 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethanethiol tetrafluoroborate IUPAC Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanethiol tetrafluoroborate Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanethiol tetrafluoroborate Formula: C25H22BF4NS MolecularWeight: 455.318493

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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)CCS)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCS)C4=CC=CC=C4

InChI

InChI=1S/C25H21NS.BF4/c27-17-16-26-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(26)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,18-19H,16-17H2;/q;-1/p+1