[(3S,4R)-5-azanyl-2-cyano-5-oxidanylidene-3-pyridin-3-yl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-1-enylidene]azanide

Systemtic Name: [(3S,4R)-5-azanyl-2-cyano-5-oxidanylidene-3-pyridin-3-yl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-1-enylidene]azanide Openeye Name: [(3S,4R)-5-amino-2-cyano-5-oxo-3-(3-pyridyl)-4-[4-(4-pyridyl)pyridin-1-ium-1-yl]pent-1-enylidene]azanide CAS Name: [(3S,4R)-5-amino-2-cyano-5-oxo-3-(3-pyridinyl)-4-(4-pyridin-4-yl-1-pyridin-1-iumyl)pent-1-enylidene]azanide IUPAC Name: [(3S,4R)-5-amino-2-cyano-5-oxo-3-pyridin-3-yl-4-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-1-enylidene]azanide Traditional Name: [(3S,4R)-5-amino-2-cyano-5-keto-3-(3-pyridyl)-4-[4-(4-pyridyl)pyridin-1-ium-1-yl]pent-1-enylidene]azanide Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C(C(=O)N)[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=C=[N-])C#N

Isomeric SMILES

C1=CC(=CN=C1)[C@H]([C@H](C(=O)N)[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=C=[N-])C#N

InChI

InChI=1S/C21H16N6O/c22-12-18(13-23)19(17-2-1-7-26-14-17)20(21(24)28)27-10-5-16(6-11-27)15-3-8-25-9-4-15/h1-11,14,19-20H,(H2,24,28)/t19-,20+/m0/s1