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

Systemtic Name: diethyl 5-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride Openeye Name: diethyl 5-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride CAS Name: 5-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 5-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate chloride Traditional Name: 5-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester chloride Formula: C18H22ClN3O5 MolecularWeight: 395.83738

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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)C(=O)N.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5.ClH/c1-4-25-17(23)14-11(3)15(18(24)26-5-2)20-13(14)10-21-8-6-7-12(9-21)16(19)22;/h6-9H,4-5,10H2,1-3H3,(H2-,19,20,22,23,24);1H