diethyl 5-[2,5-dimethyl-3-(2-piperidin-1-ium-1-ylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2,5-dimethyl-3-(2-piperidin-1-ium-1-ylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2,5-dimethyl-3-(2-piperidin-1-ium-1-ylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2,5-dimethyl-3-(2-piperidin-1-ium-1-ylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-(2-piperidin-1-ium-1-ylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCCCC3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCCCC3)C)C(=O)OCC

InChI

InChI=1S/C25H32N2O5/c1-5-31-24(29)19-13-20(25(30)32-6-2)15-21(14-19)27-17(3)12-22(18(27)4)23(28)16-26-10-8-7-9-11-26/h12-15H,5-11,16H2,1-4H3/p+1