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

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C14H19BrNO2+ MolecularWeight: 313.21016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO2/c1-11(10-16-8-2-3-9-16)18-14(17)12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3/p+1/t11-/m1/s1