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

Systemtic Name: diethyl 5-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C26H35N2O5+ MolecularWeight: 455.5665

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCC(CC3)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCC(CC3)C)C)C(=O)OCC

InChI

InChI=1S/C26H34N2O5/c1-6-32-25(30)20-13-21(26(31)33-7-2)15-22(14-20)28-18(4)12-23(19(28)5)24(29)16-27-10-8-17(3)9-11-27/h12-15,17H,6-11,16H2,1-5H3/p+1