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

Systemtic Name: methyl 2-(2-ethyl-4-methyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)benzoate perchlorate Openeye Name: methyl 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 methyl ester perchlorate IUPAC Name: methyl 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 methyl ester perchlorate Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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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)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3.ClHO4/c1-4-18-22-20(24)19(15-10-6-5-7-11-15)14(2)23(18)17-13-9-8-12-16(17)21(25)26-3;2-1(3,4)5/h5-13H,4H2,1-3H3;(H,2,3,4,5)