ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-pyrrolidino-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2/c1-2-24-19(23)16-12-15(13-20)18(22-10-6-7-11-22)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3/p+1