4-tert-butyl-1-octadecyl-pyridin-1-ium; tetraphenylboranuide

Systemtic Name: 4-tert-butyl-1-octadecyl-pyridin-1-ium; tetraphenylboranuide Openeye Name: 4-tert-butyl-1-octadecyl-pyridin-1-ium; tetraphenylboranuide CAS Name: 4-tert-butyl-1-octadecylpyridin-1-ium; tetraphenylboranuide IUPAC Name: 4-tert-butyl-1-octadecylpyridin-1-ium; tetraphenylboranuide Traditional Name: 4-tert-butyl-1-stearyl-pyridin-1-ium; tetraphenylboranuide Formula: C51H70BN MolecularWeight: 707.9192

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C27H50N.C24H20B/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-24-21-26(22-25-28)27(2,3)4;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-22,24-25H,5-20,23H2,1-4H3;1-20H/q+1;-1