[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3-bromanylbenzoate

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3-bromobenzoate Traditional Name: 3-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(=CC=C2)Br

Isomeric SMILES

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

InChI

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