[(1S)-1-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl] ethanoate bromide

Systemtic Name: [(1S)-1-[1-(phenylmethyl)pyridin-1-ium-4-yl]ethyl] ethanoate bromide Openeye Name: [(1S)-1-(1-benzylpyridin-1-ium-4-yl)ethyl] acetate bromide CAS Name: acetic acid [(1S)-1-[1-(phenylmethyl)-4-pyridin-1-iumyl]ethyl] ester bromide IUPAC Name: [(1S)-1-(1-benzylpyridin-1-ium-4-yl)ethyl] acetate bromide Traditional Name: acetic acid [(1S)-1-(1-benzylpyridin-1-ium-4-yl)ethyl] ester bromide Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=[N+](C=C1)CC2=CC=CC=C2)OC(=O)C.[Br-]

Isomeric SMILES

C[C@@H](C1=CC=[N+](C=C1)CC2=CC=CC=C2)OC(=O)C.[Br-]

InChI

InChI=1S/C16H18NO2.BrH/c1-13(19-14(2)18)16-8-10-17(11-9-16)12-15-6-4-3-5-7-15;/h3-11,13H,12H2,1-2H3;1H/q+1;/p-1/t13-;/m0./s1