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

Systemtic Name: diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate Openeye Name: diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate CAS Name: 2,5-dimethyl-1-(2,4,6-trimethyl-1-pyridin-1-iumyl)pyrrole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylate Traditional Name: 2,5-dimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)pyrrole-3,4-dicarboxylic acid diethyl ester Formula: C20H27N2O4+ MolecularWeight: 359.43938

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2O4/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/h10-11H,8-9H2,1-7H3/q+1