5-(4-fluorophenyl)-2,6-dimethyl-1H-pyrimidin-3-ium-4-one perchlorate

Systemtic Name: 5-(4-fluorophenyl)-2,6-dimethyl-1H-pyrimidin-3-ium-4-one perchlorate Openeye Name: 5-(4-fluorophenyl)-2,6-dimethyl-1H-pyrimidin-3-ium-4-one perchlorate CAS Name: 5-(4-fluorophenyl)-2,6-dimethyl-1H-pyrimidin-3-ium-4-one perchlorate IUPAC Name: 5-(4-fluorophenyl)-2,6-dimethyl-1H-pyrimidin-3-ium-4-one perchlorate Traditional Name: 5-(4-fluorophenyl)-2,6-dimethyl-1H-pyrimidin-3-ium-4-one perchlorate Formula: C12H12ClFN2O5 MolecularWeight: 318.685483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN2O.ClHO4/c1-7-11(12(16)15-8(2)14-7)9-3-5-10(13)6-4-9;2-1(3,4)5/h3-6H,1-2H3,(H,14,15,16);(H,2,3,4,5)