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

Systemtic Name: diethyl 4-phenyl-1-pyridin-4-yl-pyridin-1-ium-2,6-dicarboxylate Openeye Name: diethyl 4-phenyl-1-(4-pyridyl)pyridin-1-ium-2,6-dicarboxylate CAS Name: 4-phenyl-1-pyridin-4-ylpyridin-1-ium-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-phenyl-1-pyridin-4-ylpyridin-1-ium-2,6-dicarboxylate Traditional Name: 4-phenyl-1-(4-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=NC=C2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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