5-azanylidene-4-cyano-2-(3-ethanoylpyridin-1-ium-1-yl)-3-pyridin-3-yl-pent-4-enamide

Systemtic Name: 5-azanylidene-4-cyano-2-(3-ethanoylpyridin-1-ium-1-yl)-3-pyridin-3-yl-pent-4-enamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-4-cyano-5-imino-3-(3-pyridyl)pent-4-enamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-4-cyano-5-imino-3-(3-pyridinyl)-4-pentenamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-4-cyano-5-imino-3-pyridin-3-ylpent-4-enamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-4-cyano-5-imino-3-(3-pyridyl)pent-4-enamide Formula: C18H16N5O2+ MolecularWeight: 334.35194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)C(C(C2=CN=CC=C2)C(=C=N)C#N)C(=O)N

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)C(C(C2=CN=CC=C2)C(=C=N)C#N)C(=O)N

InChI

InChI=1S/C18H15N5O2/c1-12(24)14-5-3-7-23(11-14)17(18(21)25)16(15(8-19)9-20)13-4-2-6-22-10-13/h2-7,10-11,16-17,19H,1H3,(H-,21,25)/p+1