methyl 4-(2,4-dimethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate

Systemtic Name: methyl 4-(2,4-dimethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate Openeye Name: methyl 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate CAS Name: 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate Traditional Name: 4-(6-keto-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=[N+]1C2=CC=C(C=C2)C(=O)OC)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)NC(=[N+]1C2=CC=C(C=C2)C(=O)OC)C)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-13-18(15-7-5-4-6-8-15)19(23)21-14(2)22(13)17-11-9-16(10-12-17)20(24)25-3/h4-12H,1-3H3/p+1