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

Systemtic Name: diethyl 3-methyl-5-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate chloride Openeye Name: diethyl 5-[(3-hydroxypyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride CAS Name: 5-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 5-[(3-hydroxypyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride Traditional Name: 5-[(3-hydroxypyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester chloride Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5.ClH/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);1H