2-azanyl-5-ethanoyl-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carbonitrile iodide

Systemtic Name: 2-azanyl-5-ethanoyl-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carbonitrile iodide Openeye Name: 5-acetyl-2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carbonitrile iodide CAS Name: 5-acetyl-2-amino-6-methyl-4-(1-methyl-3-pyridin-1-iumyl)-4H-pyran-3-carbonitrile iodide IUPAC Name: 5-acetyl-2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carbonitrile iodide Traditional Name: 5-acetyl-2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carbonitrile iodide Formula: C15H16IN3O2 MolecularWeight: 397.21091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=C[N+](=CC=C2)C)C(=O)C.[I-]

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=C[N+](=CC=C2)C)C(=O)C.[I-]

InChI

InChI=1S/C15H16N3O2.HI/c1-9(19)13-10(2)20-15(17)12(7-16)14(13)11-5-4-6-18(3)8-11;/h4-6,8,14H,17H2,1-3H3;1H/q+1;/p-1