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

Systemtic Name: 2-[[4-[(6-azanylpyridin-1-ium-3-yl)amino]phenyl]carbonylamino]ethanoate Openeye Name: 2-[[4-[(6-aminopyridin-1-ium-3-yl)amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[(6-amino-3-pyridin-1-iumyl)amino]phenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[4-[(6-aminopyridin-1-ium-3-yl)amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(6-aminopyridin-1-ium-3-yl)amino]benzoyl]amino]acetate Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)[O-])NC2=C[NH+]=C(C=C2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)[O-])NC2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C14H14N4O3/c15-12-6-5-11(7-16-12)18-10-3-1-9(2-4-10)14(21)17-8-13(19)20/h1-7,18H,8H2,(H2,15,16)(H,17,21)(H,19,20)