methyl 2-oxidanyl-5-[(pyridin-1-ium-2-ylamino)methyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[(pyridin-1-ium-2-ylamino)methyl]benzoate Openeye Name: methyl 2-hydroxy-5-[(pyridin-1-ium-2-ylamino)methyl]benzoate CAS Name: 2-hydroxy-5-[(2-pyridin-1-iumylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[(pyridin-1-ium-2-ylamino)methyl]benzoate Traditional Name: 2-hydroxy-5-[(pyridin-1-ium-2-ylamino)methyl]benzoic acid methyl ester Formula: C14H15N2O3+ MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CNC2=CC=CC=[NH+]2)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CNC2=CC=CC=[NH+]2)O

InChI

InChI=1S/C14H14N2O3/c1-19-14(18)11-8-10(5-6-12(11)17)9-16-13-4-2-3-7-15-13/h2-8,17H,9H2,1H3,(H,15,16)/p+1