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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C16H23BrNO3+ MolecularWeight: 357.26272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H22BrNO3/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15/h5-8,13H,2-4,9-12H2,1H3/p+1/t13-/m1/s1