methyl 1-phenethylpyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-phenethylpyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-phenethylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-phenethyl-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-phenethylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-phenethylpyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2.BrH/c1-18-15(17)14-8-5-10-16(12-14)11-9-13-6-3-2-4-7-13;/h2-8,10,12H,9,11H2,1H3;1H/q+1;/p-1