ethyl 5-cyano-6-methyl-2-(prop-2-enylamino)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-(prop-2-enylamino)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-(allylamino)-5-cyano-6-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-methyl-2-(prop-2-enylamino)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-(prop-2-enylamino)pyridin-1-ium-3-carboxylate Traditional Name: 2-(allylamino)-5-cyano-6-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)NCC=C

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)NCC=C

InChI

InChI=1S/C13H15N3O2/c1-4-6-15-12-11(13(17)18-5-2)7-10(8-14)9(3)16-12/h4,7H,1,5-6H2,2-3H3,(H,15,16)/p+1