methyl 3-[(6-azanylpyridin-1-ium-3-yl)amino]benzoate

Systemtic Name: methyl 3-[(6-azanylpyridin-1-ium-3-yl)amino]benzoate Openeye Name: methyl 3-[(6-aminopyridin-1-ium-3-yl)amino]benzoate CAS Name: 3-[(6-amino-3-pyridin-1-iumyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-aminopyridin-1-ium-3-yl)amino]benzoate Traditional Name: 3-[(6-aminopyridin-1-ium-3-yl)amino]benzoic acid methyl ester Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=C[NH+]=C(C=C2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C13H13N3O2/c1-18-13(17)9-3-2-4-10(7-9)16-11-5-6-12(14)15-8-11/h2-8,16H,1H3,(H2,14,15)/p+1