methyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-benzylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-benzylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C14H14BrNO2 MolecularWeight: 308.17046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14NO2.BrH/c1-17-14(16)13-8-5-9-15(11-13)10-12-6-3-2-4-7-12;/h2-9,11H,10H2,1H3;1H/q+1;/p-1