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

Systemtic Name: ethyl 2-azanyl-6-(chloromethyl)-5-cyano-4-pyridin-1-ium-3-yl-4H-pyran-3-carboxylate Openeye Name: ethyl 2-amino-6-(chloromethyl)-5-cyano-4-pyridin-1-ium-3-yl-4H-pyran-3-carboxylate CAS Name: 2-amino-6-(chloromethyl)-5-cyano-4-(3-pyridin-1-iumyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-(chloromethyl)-5-cyano-4-pyridin-1-ium-3-yl-4H-pyran-3-carboxylate Traditional Name: 2-amino-6-(chloromethyl)-5-cyano-4-pyridin-1-ium-3-yl-4H-pyran-3-carboxylic acid ethyl ester Formula: C15H15ClN3O3+ MolecularWeight: 320.7509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O3/c1-2-21-15(20)13-12(9-4-3-5-19-8-9)10(7-17)11(6-16)22-14(13)18/h3-5,8,12H,2,6,18H2,1H3/p+1