(2R)-4-(4-bromophenyl)-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-4-keto-2-morpholin-4-ium-4-yl-butyrate Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/c15-11-3-1-10(2-4-11)13(17)9-12(14(18)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2,(H,18,19)/t12-/m1/s1