2-[5-chloranyl-3-oxidanylidene-2-(phenylcarbonyl)-1,2-oxazol-2-ium-2-yl]-3-methoxy-4-morpholin-4-yl-butanoic acid

Systemtic Name: 2-[5-chloranyl-3-oxidanylidene-2-(phenylcarbonyl)-1,2-oxazol-2-ium-2-yl]-3-methoxy-4-morpholin-4-yl-butanoic acid Openeye Name: 2-(2-benzoyl-5-chloro-3-oxo-isoxazol-2-ium-2-yl)-3-methoxy-4-morpholino-butanoic acid CAS Name: 2-(2-benzoyl-5-chloro-3-oxo-2-isoxazol-2-iumyl)-3-methoxy-4-(4-morpholinyl)butanoic acid IUPAC Name: 2-(2-benzoyl-5-chloro-3-oxo-1,2-oxazol-2-ium-2-yl)-3-methoxy-4-morpholin-4-ylbutanoic acid Traditional Name: 2-(2-benzoyl-5-chloro-3-keto-4-isoxazolin-2-ium-2-yl)-3-methoxy-4-morpholino-butyric acid Formula: C19H22ClN2O7+ MolecularWeight: 425.84018

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1CCOCC1)C(C(=O)O)[N+]2(C(=O)C=C(O2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(CN1CCOCC1)C(C(=O)O)[N+]2(C(=O)C=C(O2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O7/c1-27-14(12-21-7-9-28-10-8-21)17(19(25)26)22(16(23)11-15(20)29-22)18(24)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3/p+1