[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R)-1-(4-morpholin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] ester Formula: C14H19BrNO3+ MolecularWeight: 329.20956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C[NH+]1CCOCC1)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO3/c1-11(10-16-6-8-18-9-7-16)19-14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3/p+1/t11-/m1/s1