4-[[(6-azanylpyridin-1-ium-3-yl)amino]methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C[NH+]=C(C=C2)N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=C[NH+]=C(C=C2)N)C(=O)[O-]

InChI

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