ethyl 6-azanyl-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate iodide

Systemtic Name: ethyl 6-azanyl-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate iodide Openeye Name: ethyl 6-amino-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate iodide CAS Name: 6-amino-5-cyano-2-methyl-4-(1-methyl-3-pyridin-1-iumyl)-4H-pyran-3-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 6-amino-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylate iodide Traditional Name: 6-amino-5-cyano-2-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-pyran-3-carboxylic acid ethyl ester iodide Formula: C16H18IN3O3 MolecularWeight: 427.23689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C[N+](=CC=C2)C)C#N)N)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C[N+](=CC=C2)C)C#N)N)C.[I-]

InChI

InChI=1S/C16H18N3O3.HI/c1-4-21-16(20)13-10(2)22-15(18)12(8-17)14(13)11-6-5-7-19(3)9-11;/h5-7,9,14H,4,18H2,1-3H3;1H/q+1;/p-1