dimethyl 1-(phenylmethyl)pyridin-1-ium-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(phenylmethyl)pyridin-1-ium-3,5-dicarboxylate Openeye Name: dimethyl 1-benzylpyridin-1-ium-3,5-dicarboxylate CAS Name: 1-(phenylmethyl)pyridin-1-ium-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzylpyridin-1-ium-3,5-dicarboxylate Traditional Name: 1-benzylpyridin-1-ium-3,5-dicarboxylic acid dimethyl ester Formula: C16H16NO4+ MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO4/c1-20-15(18)13-8-14(16(19)21-2)11-17(10-13)9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3/q+1