diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylate perchlorate

Systemtic Name: diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylate perchlorate Openeye Name: diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylate perchlorate CAS Name: 2,6-dimethyl-4-(4-nitrophenyl)-1-phenylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester perchlorate IUPAC Name: diethyl 2,6-dimethyl-4-(4-nitrophenyl)-1-phenylpyridin-1-ium-3,5-dicarboxylate perchlorate Traditional Name: 2,6-dimethyl-4-(4-nitrophenyl)-1-phenyl-pyridin-1-ium-3,5-dicarboxylic acid diethyl ester perchlorate Formula: C25H25ClN2O10 MolecularWeight: 548.9264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H25N2O6.ClHO4/c1-5-32-24(28)21-16(3)26(19-10-8-7-9-11-19)17(4)22(25(29)33-6-2)23(21)18-12-14-20(15-13-18)27(30)31;2-1(3,4)5/h7-15H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1