methyl 3-[(3-phenylpyridin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(3-phenylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-[(3-phenylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(3-phenyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-phenylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(3-phenylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C20H18NO2+ MolecularWeight: 304.36242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18NO2/c1-23-20(22)18-10-5-7-16(13-18)14-21-12-6-11-19(15-21)17-8-3-2-4-9-17/h2-13,15H,14H2,1H3/q+1