[6-phenyl-3-[(2R)-4,7,7-trimethyl-3-oxidanylidene-2-bicyclo[2.2.1]heptanyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]boron(1-)

Systemtic Name: [6-phenyl-3-[(2R)-4,7,7-trimethyl-3-oxidanylidene-2-bicyclo[2.2.1]heptanyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]boron(1-) Openeye Name: [6-phenyl-3-[(2R)-4,7,7-trimethyl-3-oxo-norbornan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]boron(1-) CAS Name: [6-phenyl-3-[(2R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]boron(1-) IUPAC Name: [6-phenyl-3-[(2R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]boron(1-) Traditional Name: [3-[(2R)-3-keto-4,7,7-trimethyl-norbornan-2-yl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-1-yl]boron(1-) Formula: C21H22BN4O MolecularWeight: 357.23658

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Descriptors Computed from Structure

Canonical SMILES:

[B-]N1C2=[N+](C(=N1)C3C4CCC(C3=O)(C4(C)C)C)N=C(C=C2)C5=CC=CC=C5

Isomeric SMILES

[B-]N1C2=[N+](C(=N1)[C@H]3C4CCC(C3=O)(C4(C)C)C)N=C(C=C2)C5=CC=CC=C5

InChI

InChI=1S/C21H22BN4O/c1-20(2)14-11-12-21(20,3)18(27)17(14)19-24-26(22)16-10-9-15(23-25(16)19)13-7-5-4-6-8-13/h4-10,14,17H,11-12H2,1-3H3/t14?,17-,21?/m0/s1