4-[2-(3-azanylpyridin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(3-azanylpyridin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-(3-aminopyridin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-amino-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(3-aminopyridin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-aminopyridin-1-ium-1-yl)acetyl]amino]benzoate Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c15-11-2-1-7-17(8-11)9-13(18)16-12-5-3-10(4-6-12)14(19)20/h1-8H,9,15H2,(H-,16,18,19,20)