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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrNO2/c1-12(11-17-9-3-2-4-10-17)19-15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3/p+1/t12-/m1/s1