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

Systemtic Name: 3-(2,4-dimethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid Openeye Name: 3-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid CAS Name: 3-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid IUPAC Name: 3-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid Traditional Name: 3-(6-keto-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid Formula: C19H17N2O3+ MolecularWeight: 321.34988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3/c1-12-17(14-7-4-3-5-8-14)18(22)20-13(2)21(12)16-10-6-9-15(11-16)19(23)24/h3-11H,1-2H3,(H,23,24)/p+1