5-cyano-4-[4-(diethylamino)phenyl]-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: 5-cyano-4-[4-(diethylamino)phenyl]-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: 5-cyano-4-[4-(diethylamino)phenyl]-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: 5-cyano-4-[4-(diethylamino)phenyl]-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: 5-cyano-4-[4-(diethylamino)phenyl]-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: 5-cyano-4-[4-(diethylamino)phenyl]-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-3-24(4-2)16-10-8-15(9-11-16)18-17(14-22)20(26)23-21(27)19(18)25-12-6-5-7-13-25/h5-13,18-19H,3-4H2,1-2H3,(H-,23,26,27)