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

Systemtic Name: methyl 2-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c1-21-14(20)10-4-2-3-5-11(10)16-13(19)9-17-7-6-15-12(18)8-17/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19)/p+1