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

Systemtic Name: diethyl 3-methyl-5-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[(3-phenyl-1-pyridin-1-iumyl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C23H25N2O4+ MolecularWeight: 393.4556

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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)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-4-28-22(26)20-16(3)21(23(27)29-5-2)24-19(20)15-25-13-9-12-18(14-25)17-10-7-6-8-11-17/h6-14H,4-5,15H2,1-3H3/p+1