2,6-dimethyl-5-phenyl-1H-pyrimidin-3-ium-4-one perchlorate

Systemtic Name: 2,6-dimethyl-5-phenyl-1H-pyrimidin-3-ium-4-one perchlorate Openeye Name: 2,6-dimethyl-5-phenyl-1H-pyrimidin-3-ium-4-one perchlorate CAS Name: 2,6-dimethyl-5-phenyl-1H-pyrimidin-3-ium-4-one perchlorate IUPAC Name: 2,6-dimethyl-5-phenyl-1H-pyrimidin-3-ium-4-one perchlorate Traditional Name: 2,6-dimethyl-5-phenyl-1H-pyrimidin-3-ium-4-one perchlorate Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[NH+]=C(N1)C)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C(=O)[NH+]=C(N1)C)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H12N2O.ClHO4/c1-8-11(10-6-4-3-5-7-10)12(15)14-9(2)13-8;2-1(3,4)5/h3-7H,1-2H3,(H,13,14,15);(H,2,3,4,5)