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

Systemtic Name: 4-(2,4-dimethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid perchlorate Openeye Name: 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid perchlorate CAS Name: 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid perchlorate IUPAC Name: 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid perchlorate Traditional Name: 4-(6-keto-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid perchlorate Formula: C19H17ClN2O7 MolecularWeight: 420.80048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3.ClHO4/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)16-10-8-15(9-11-16)19(23)24;2-1(3,4)5/h3-11H,1-2H3,(H,23,24);(H,2,3,4,5)