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

Systemtic Name: ethyl 4-[2-[(3S)-2-oxidanylidene-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3S)-4-benzyl-2-oxo-morpholin-4-ium-3-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(3S)-2-oxo-4-(phenylmethyl)-3-morpholin-4-iumyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3S)-4-benzyl-2-oxomorpholin-4-ium-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3S)-4-benzyl-2-keto-morpholin-4-ium-3-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)OCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)OCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-2-28-21(26)17-8-10-18(11-9-17)23-20(25)14-19-22(27)29-13-12-24(19)15-16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1