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

Systemtic Name: ethyl 5-cyano-6-[(2-methoxyphenyl)methylamino]-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(2-methoxyphenyl)methylamino]-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-[(2-methoxyphenyl)methylamino]-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2-methoxyphenyl)methylamino]-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-(o-anisylamino)-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)NCC2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)NCC2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3/c1-3-29-23(27)19-13-18(14-24)22(26-21(19)16-9-5-4-6-10-16)25-15-17-11-7-8-12-20(17)28-2/h4-13H,3,15H2,1-2H3,(H,25,26)/p+1