ethyl 1-phenethylpyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-phenethylpyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-phenethylpyridin-1-ium-4-carboxylate bromide CAS Name: 1-phenethyl-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-phenethylpyridin-1-ium-4-carboxylate bromide Traditional Name: 1-phenethylpyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CCC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CCC2=CC=CC=C2.[Br-]

InChI

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