4-(4-bromophenyl)-1-morpholin-4-ium-4-yl-2-morpholin-4-yl-1-oxidanyl-4-oxidanylidene-butan-1-olate

Systemtic Name: 4-(4-bromophenyl)-1-morpholin-4-ium-4-yl-2-morpholin-4-yl-1-oxidanyl-4-oxidanylidene-butan-1-olate Openeye Name: 4-(4-bromophenyl)-1-hydroxy-1-morpholin-4-ium-4-yl-2-morpholino-4-oxo-butan-1-olate CAS Name: 4-(4-bromophenyl)-1-hydroxy-1-(4-morpholin-4-iumyl)-2-(4-morpholinyl)-4-oxo-1-butanolate IUPAC Name: 4-(4-bromophenyl)-1-hydroxy-1-morpholin-4-ium-4-yl-2-morpholin-4-yl-4-oxobutan-1-olate Traditional Name: 4-(4-bromophenyl)-1-hydroxy-4-keto-1-morpholin-4-ium-4-yl-2-morpholino-butan-1-olate Formula: C18H25BrN2O5 MolecularWeight: 429.3055

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C(CC(=O)C2=CC=C(C=C2)Br)N3CCOCC3)(O)[O-]

Isomeric SMILES

C1COCC[NH+]1C(C(CC(=O)C2=CC=C(C=C2)Br)N3CCOCC3)(O)[O-]

InChI

InChI=1S/C18H24BrN2O5/c19-15-3-1-14(2-4-15)16(22)13-17(20-5-9-25-10-6-20)18(23,24)21-7-11-26-12-8-21/h1-4,17,23H,5-13H2/q-1/p+1