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

Systemtic Name: ethyl 2-(2-ethyl-4-methyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate Openeye Name: ethyl 2-(2-ethyl-4-methyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate CAS Name: 2-(2-ethyl-4-methyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid ethyl ester perchlorate IUPAC Name: ethyl 2-(2-ethyl-4-methyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate Traditional Name: 2-(2-ethyl-6-keto-4-methyl-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoic acid ethyl ester perchlorate Formula: C22H23ClN2O7 MolecularWeight: 462.88022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=C(C(=O)N1)C2=CC=CC=C2)C)C3=CC=CC=C3C(=O)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=[N+](C(=C(C(=O)N1)C2=CC=CC=C2)C)C3=CC=CC=C3C(=O)OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H22N2O3.ClHO4/c1-4-19-23-21(25)20(16-11-7-6-8-12-16)15(3)24(19)18-14-10-9-13-17(18)22(26)27-5-2;2-1(3,4)5/h6-14H,4-5H2,1-3H3;(H,2,3,4,5)