diethyl 4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2,6-dicarboxylate

Systemtic Name: diethyl 4-phenyl-1-pyridin-2-yl-pyridin-1-ium-2,6-dicarboxylate Openeye Name: diethyl 4-phenyl-1-(2-pyridyl)pyridin-1-ium-2,6-dicarboxylate CAS Name: 4-phenyl-1-(2-pyridinyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-phenyl-1-pyridin-2-ylpyridin-1-ium-2,6-dicarboxylate Traditional Name: 4-phenyl-1-(2-pyridyl)pyridin-1-ium-2,6-dicarboxylic acid diethyl ester Formula: C22H21N2O4+ MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC=N2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=CC=CC=N2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H21N2O4/c1-3-27-21(25)18-14-17(16-10-6-5-7-11-16)15-19(22(26)28-4-2)24(18)20-12-8-9-13-23-20/h5-15H,3-4H2,1-2H3/q+1