methyl 3-[(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanoyl)amino]benzoate

Systemtic Name: methyl 3-[(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanoyl)amino]benzoate Openeye Name: methyl 3-[(2-oxo-2-piperazin-4-ium-1-yl-acetyl)amino]benzoate CAS Name: 3-[[1,2-dioxo-2-(1-piperazin-4-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-oxo-2-piperazin-4-ium-1-ylacetyl)amino]benzoate Traditional Name: 3-[(2-keto-2-piperazin-4-ium-1-yl-acetyl)amino]benzoic acid methyl ester Formula: C14H18N3O4+ MolecularWeight: 292.31042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CC[NH2+]CC2

InChI

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