dimethyl 2-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCCC2

InChI

InChI=1S/C16H20N2O5/c1-22-15(20)11-5-6-12(16(21)23-2)13(9-11)17-14(19)10-18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)/p+1