ethyl 4-[2-[(3R)-4-ethyl-2-oxidanylidene-morpholin-4-ium-3-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3R)-4-ethyl-2-oxidanylidene-morpholin-4-ium-3-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3R)-4-ethyl-2-oxo-morpholin-4-ium-3-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3R)-4-ethyl-2-oxo-3-morpholin-4-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3R)-4-ethyl-2-oxomorpholin-4-ium-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3R)-4-ethyl-2-keto-morpholin-4-ium-3-yl]acetyl]amino]benzoic acid ethyl ester Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCOC(=O)C1CC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCOC(=O)[C@H]1CC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H22N2O5/c1-3-19-9-10-24-17(22)14(19)11-15(20)18-13-7-5-12(6-8-13)16(21)23-4-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,20)/p+1/t14-/m1/s1