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

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

Isomeric SMILES

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

InChI

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