ethyl 6-azanyl-5-cyano-2-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-(4-pyridin-1-iumyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-pyridin-1-ium-4-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C15H16N3O3+ MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3/c1-3-20-15(19)12-9(2)21-14(17)11(8-16)13(12)10-4-6-18-7-5-10/h4-7,13H,3,17H2,1-2H3/p+1