dimethyl 2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H23N2O5S+ MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C20H22N2O5S/c1-26-19(24)13-7-8-14(20(25)27-2)15(11-13)21-18(23)12-22-9-3-5-16(22)17-6-4-10-28-17/h4,6-8,10-11,16H,3,5,9,12H2,1-2H3,(H,21,23)/p+1/t16-/m1/s1