methyl 4-[[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[2-(4-morpholin-4-iumyl)ethylamino]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(2-morpholin-4-ium-4-ylethylamino)acetyl]amino]benzoic acid methyl ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C16H21N3O5/c1-23-16(22)12-2-4-13(5-3-12)18-15(21)14(20)17-6-7-19-8-10-24-11-9-19/h2-5H,6-11H2,1H3,(H,17,20)(H,18,21)/p+1