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

Systemtic Name: methyl 4-(2,4-dimethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate Openeye Name: methyl 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate CAS Name: 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester perchlorate IUPAC Name: methyl 4-(2,4-dimethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate Traditional Name: 4-(6-keto-2,4-dimethyl-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid methyl ester perchlorate Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18N2O3.ClHO4/c1-13-18(15-7-5-4-6-8-15)19(23)21-14(2)22(13)17-11-9-16(10-12-17)20(24)25-3;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)