ethyl 2-[1-(phenylmethyl)pyridin-1-ium-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[1-(phenylmethyl)pyridin-1-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-(1-benzylpyridin-1-ium-2-yl)acetate bromide CAS Name: 2-[1-(phenylmethyl)-2-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(1-benzylpyridin-1-ium-2-yl)acetate bromide Traditional Name: 2-(1-benzylpyridin-1-ium-2-yl)acetic acid ethyl ester bromide Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC=[N+]1CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)CC1=CC=CC=[N+]1CC2=CC=CC=C2.[Br-]

InChI

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