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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC(=[N+]1C2=CC=CC=C2C(=O)OC)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=C(C(=O)NC(=[N+]1C2=CC=CC=C2C(=O)OC)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

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