(2R,3S)-5-azanylidene-4-cyano-3-pyridin-3-yl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-4-enamide

Systemtic Name: (2R,3S)-5-azanylidene-4-cyano-3-pyridin-3-yl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-4-enamide Openeye Name: (2R,3S)-4-cyano-5-imino-3-(3-pyridyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pent-4-enamide CAS Name: (2R,3S)-4-cyano-5-imino-3-(3-pyridinyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)-4-pentenamide IUPAC Name: (2R,3S)-4-cyano-5-imino-3-pyridin-3-yl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pent-4-enamide Traditional Name: (2R,3S)-4-cyano-5-imino-3-(3-pyridyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pent-4-enamide Formula: C21H17N6O+ MolecularWeight: 369.39928

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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/h1-11,14,19-20,22H,(H-,24,28)/p+1/t19-,20+/m0/s1