2,6-dimethylpyridin-1-ium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Systemtic Name: 2,6-dimethylpyridin-1-ium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Openeye Name: 2,6-dimethylpyridin-1-ium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: 2,6-dimethylpyridin-1-ium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: 2,6-dimethylpyridin-1-ium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: 2,6-dimethylpyridin-1-ium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C39H22BF24N MolecularWeight: 971.371357

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.CC1=[NH+]C(=CC=C1)C

Isomeric SMILES

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.CC1=[NH+]C(=CC=C1)C

InChI

InChI=1S/C32H12BF24.C7H9N/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-6-4-3-5-7(2)8-6/h1-12H;3-5H,1-2H3/q-1;/p+1