dimethyl 5-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(2R)-3-oxo-2-piperazin-1-iumyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H20N3O6+ MolecularWeight: 350.3465

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCC[NH2+]2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[C@@H]2C(=O)NCC[NH2+]2)C(=O)OC

InChI

InChI=1S/C16H19N3O6/c1-24-15(22)9-5-10(16(23)25-2)7-11(6-9)19-13(20)8-12-14(21)18-4-3-17-12/h5-7,12,17H,3-4,8H2,1-2H3,(H,18,21)(H,19,20)/p+1/t12-/m1/s1