diethyl 5-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylethanoyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C24H31N2O6+ MolecularWeight: 443.51274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCOCC3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCOCC3)C)C(=O)OCC

InChI

InChI=1S/C24H30N2O6/c1-5-31-23(28)18-12-19(24(29)32-6-2)14-20(13-18)26-16(3)11-21(17(26)4)22(27)15-25-7-9-30-10-8-25/h11-14H,5-10,15H2,1-4H3/p+1