(3R,4S)-5-cyano-2-oxidanylidene-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: (3R,4S)-5-cyano-2-oxidanylidene-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: (3R,4S)-5-cyano-2-oxo-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: (3R,4S)-5-cyano-2-oxo-4-phenyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: (3R,4S)-5-cyano-2-oxo-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: (3R,4S)-5-cyano-2-keto-4-phenyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC(=C2C#N)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2/c18-11-13-14(12-7-3-1-4-8-12)15(17(22)19-16(13)21)20-9-5-2-6-10-20/h1-10,14-15H,(H-,19,21,22)/t14-,15+/m0/s1