2-[4-[(6-azanylpyridin-1-ium-3-yl)amino]phenyl]ethanoate

Systemtic Name: 2-[4-[(6-azanylpyridin-1-ium-3-yl)amino]phenyl]ethanoate Openeye Name: 2-[4-[(6-aminopyridin-1-ium-3-yl)amino]phenyl]acetate CAS Name: 2-[4-[(6-amino-3-pyridin-1-iumyl)amino]phenyl]acetate IUPAC Name: 2-[4-[(6-aminopyridin-1-ium-3-yl)amino]phenyl]acetate Traditional Name: 2-[4-[(6-aminopyridin-1-ium-3-yl)amino]phenyl]acetate Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)[O-])NC2=C[NH+]=C(C=C2)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)[O-])NC2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C13H13N3O2/c14-12-6-5-11(8-15-12)16-10-3-1-9(2-4-10)7-13(17)18/h1-6,8,16H,7H2,(H2,14,15)(H,17,18)