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

Systemtic Name: ethyl 4-[[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-2-25-17(23)13-3-5-14(6-4-13)19-16(22)15(21)18-7-8-20-9-11-24-12-10-20/h3-6H,2,7-12H2,1H3,(H,18,21)(H,19,22)/p+1