dimethyl 5-[2,5-dimethyl-3-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2,5-dimethyl-3-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2,5-dimethyl-3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2,5-dimethyl-3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H25N2O5+ MolecularWeight: 421.4657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C24H25N2O5/c1-15-6-8-25(9-7-15)14-22(27)21-10-16(2)26(17(21)3)20-12-18(23(28)30-4)11-19(13-20)24(29)31-5/h6-13H,14H2,1-5H3/q+1