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

Systemtic Name: methyl 3-[(3-oxidanylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(3-hydroxy-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C14H14NO3+ MolecularWeight: 244.26586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3/c1-18-14(17)12-5-2-4-11(8-12)9-15-7-3-6-13(16)10-15/h2-8,10H,9H2,1H3/p+1