ethyl 2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C15H20N3O4+ MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H19N3O4/c1-2-22-15(21)11-5-3-4-6-12(11)17-14(20)10-18-8-7-16-13(19)9-18/h3-6H,2,7-10H2,1H3,(H,16,19)(H,17,20)/p+1