ethyl 5-cyano-6-[(4-methylphenyl)methylamino]-2-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(4-methylphenyl)methylamino]-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-(p-tolylmethylamino)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-[(4-methylphenyl)methylamino]-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(4-methylphenyl)methylamino]-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-[(4-methylbenzyl)amino]-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2/c1-3-28-23(27)20-13-19(14-24)22(25-15-17-11-9-16(2)10-12-17)26-21(20)18-7-5-4-6-8-18/h4-13H,3,15H2,1-2H3,(H,25,26)/p+1