(1S,4R,7S)-2-diazonio-7-phenyl-7-pyridin-2-yl-bicyclo[2.2.1]hept-2-en-3-olate

Systemtic Name: (1S,4R,7S)-2-diazonio-7-phenyl-7-pyridin-2-yl-bicyclo[2.2.1]hept-2-en-3-olate Openeye Name: (1S,4R,7S)-2-diazonio-7-phenyl-7-(2-pyridyl)bicyclo[2.2.1]hept-2-en-3-olate CAS Name: (1S,4R,7S)-2-diazonio-7-phenyl-7-(2-pyridinyl)-3-bicyclo[2.2.1]hept-2-enolate IUPAC Name: (1S,4R,7S)-2-diazonio-7-phenyl-7-pyridin-2-ylbicyclo[2.2.1]hept-2-en-3-olate Traditional Name: (1S,4R,7S)-2-diazonio-7-phenyl-7-(2-pyridyl)bicyclo[2.2.1]hept-2-en-3-olate Formula: C18H15N3O MolecularWeight: 289.3312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=C(C1C2(C3=CC=CC=C3)C4=CC=CC=N4)[N+]#N)[O-]

Isomeric SMILES

C1C[C@H]2C(=C([C@@H]1[C@]2(C3=CC=CC=C3)C4=CC=CC=N4)[N+]#N)[O-]

InChI

InChI=1S/C18H15N3O/c19-21-16-13-9-10-14(17(16)22)18(13,12-6-2-1-3-7-12)15-8-4-5-11-20-15/h1-8,11,13-14H,9-10H2/t13-,14+,18+/m1/s1