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

Systemtic Name: methyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-benzylpyridin-1-ium-3-carboxylate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-benzylpyridin-1-ium-3-carboxylate Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid methyl ester Formula: C14H14NO2+ MolecularWeight: 228.26646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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