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

Systemtic Name: ethyl 5-cyano-2-phenyl-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-(benzylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzylamino)-5-cyano-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 6-(benzylamino)-5-cyano-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C22H20N3O2+ MolecularWeight: 358.4131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2/c1-2-27-22(26)19-13-18(14-23)21(24-15-16-9-5-3-6-10-16)25-20(19)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3,(H,24,25)/p+1