1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)-2,6-dimethyl-pyrimidin-3-ium-4-one perchlorate

Systemtic Name: 1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)-2,6-dimethyl-pyrimidin-3-ium-4-one perchlorate Openeye Name: 1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)-2,6-dimethyl-pyrimidin-3-ium-4-one perchlorate CAS Name: 1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)-2,6-dimethyl-4-pyrimidin-3-iumone perchlorate IUPAC Name: 1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)-2,6-dimethylpyrimidin-3-ium-4-one perchlorate Traditional Name: 1-(4-hydroxyphenyl)-3-(2-methoxyphenyl)-2,6-dimethyl-pyrimidin-3-ium-4-one perchlorate Formula: C19H19ClN2O7 MolecularWeight: 422.81636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+](=C(N1C2=CC=C(C=C2)O)C)C3=CC=CC=C3OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=O)[N+](=C(N1C2=CC=C(C=C2)O)C)C3=CC=CC=C3OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H18N2O3.ClHO4/c1-13-12-19(23)21(17-6-4-5-7-18(17)24-3)14(2)20(13)15-8-10-16(22)11-9-15;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)