[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C15H21BrNO3+ MolecularWeight: 343.23614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C[NH+]1CCCC1)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrNO3/c1-12(10-17-8-2-3-9-17)20-15(18)11-19-14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3/p+1/t12-/m1/s1