diethyl 3-methyl-5-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-hydroxypyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-hydroxypyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(3-hydroxypyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C17H20N2O5/c1-4-23-16(21)14-11(3)15(17(22)24-5-2)18-13(14)10-19-8-6-7-12(20)9-19/h6-9H,4-5,10H2,1-3H3,(H-,18,20,21,22)/p+1