4-[2-(3-azanylpyridin-1-ium-1-yl)ethanoylamino]benzoic acid chloride

Systemtic Name: 4-[2-(3-azanylpyridin-1-ium-1-yl)ethanoylamino]benzoic acid chloride Openeye Name: 4-[[2-(3-aminopyridin-1-ium-1-yl)acetyl]amino]benzoic acid chloride CAS Name: 4-[[2-(3-amino-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid chloride IUPAC Name: 4-[[2-(3-aminopyridin-1-ium-1-yl)acetyl]amino]benzoic acid chloride Traditional Name: 4-[[2-(3-aminopyridin-1-ium-1-yl)acetyl]amino]benzoic acid chloride Formula: C14H14ClN3O3 MolecularWeight: 307.73226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3.ClH/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);1H