ethyl 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chlorophenyl)methylamino]-5-cyano-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 6-[(3-chlorobenzyl)amino]-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C22H19ClN3O2+ MolecularWeight: 392.85816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)NCC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)NCC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H18ClN3O2/c1-2-28-22(27)19-12-17(13-24)21(25-14-15-7-6-10-18(23)11-15)26-20(19)16-8-4-3-5-9-16/h3-12H,2,14H2,1H3,(H,25,26)/p+1