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

Systemtic Name: diethyl 5-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H24N3O6+ MolecularWeight: 378.39966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCC[NH2+]2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6/c1-3-26-17(24)11-7-12(18(25)27-4-2)9-13(8-11)21-15(22)10-14-16(23)20-6-5-19-14/h7-9,14,19H,3-6,10H2,1-2H3,(H,20,23)(H,21,22)/p+1/t14-/m1/s1