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

Systemtic Name: ethyl 5-cyano-2-phenyl-6-(prop-2-enylamino)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-(allylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(prop-2-enylamino)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-(prop-2-enylamino)pyridin-1-ium-3-carboxylate Traditional Name: 6-(allylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-3-10-20-17-14(12-19)11-15(18(22)23-4-2)16(21-17)13-8-6-5-7-9-13/h3,5-9,11H,1,4,10H2,2H3,(H,20,21)/p+1