diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate perchlorate

Systemtic Name: diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate perchlorate Openeye Name: diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate perchlorate CAS Name: 2,5-dimethyl-1-(2,4,6-trimethyl-1-pyridin-1-iumyl)pyrrole-3,4-dicarboxylic acid diethyl ester perchlorate IUPAC Name: diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate perchlorate Traditional Name: 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylic acid diethyl ester perchlorate Formula: C20H27ClN2O8 MolecularWeight: 458.88998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)[N+]2=C(C=C(C=C2C)C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)[N+]2=C(C=C(C=C2C)C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H27N2O4.ClHO4/c1-8-25-19(23)17-15(6)22(16(7)18(17)20(24)26-9-2)21-13(4)10-12(3)11-14(21)5;2-1(3,4)5/h10-11H,8-9H2,1-7H3;(H,2,3,4,5)/q+1;/p-1