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

Systemtic Name: diethyl 3-methyl-5-[(2-methylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-methylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(2-methyl-1-pyridin-1-iumyl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-methylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-methylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-5-23-17(21)15-13(4)16(18(22)24-6-2)19-14(15)11-20-10-8-7-9-12(20)3/h7-10H,5-6,11H2,1-4H3/p+1