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

Systemtic Name: 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-2,4-dimethyl-1H-pyrimidin-3-ium-6-one perchlorate Openeye Name: 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-2,4-dimethyl-1H-pyrimidin-3-ium-6-one perchlorate CAS Name: 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-2,4-dimethyl-1H-pyrimidin-3-ium-6-one perchlorate IUPAC Name: 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-2,4-dimethyl-1H-pyrimidin-3-ium-6-one perchlorate Traditional Name: 5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-2,4-dimethyl-1H-pyrimidin-3-ium-6-one perchlorate Formula: C18H16ClFN2O6 MolecularWeight: 410.780843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN2O2.ClHO4/c1-11-17(13-3-5-14(19)6-4-13)18(23)20-12(2)21(11)15-7-9-16(22)10-8-15;2-1(3,4)5/h3-10,22H,1-2H3;(H,2,3,4,5)