ethyl 4-(4-methylphenyl)-6-phenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-6-phenyl-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 6-phenyl-4-(p-tolyl)-1-pyrimidin-2-yl-pyridin-1-ium-2-carboxylate CAS Name: 4-(4-methylphenyl)-6-phenyl-1-(2-pyrimidinyl)-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-6-phenyl-1-pyrimidin-2-ylpyridin-1-ium-2-carboxylate Traditional Name: 6-phenyl-4-(p-tolyl)-1-(2-pyrimidyl)pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C25H22N3O2+ MolecularWeight: 396.46108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=CC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC=CC=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N3O2/c1-3-30-24(29)23-17-21(19-12-10-18(2)11-13-19)16-22(20-8-5-4-6-9-20)28(23)25-26-14-7-15-27-25/h4-17H,3H2,1-2H3/q+1