3-[2-(3H-benzimidazol-1-ium-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(3H-benzimidazol-1-ium-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(3H-benzimidazol-1-ium-1-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(3H-benzimidazol-1-ium-1-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3H-benzimidazol-1-ium-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(3H-benzimidazol-1-ium-1-yl)acetyl]amino]benzoic acid Formula: C16H14N3O3+ MolecularWeight: 296.30066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3/c20-15(18-12-5-3-4-11(8-12)16(21)22)9-19-10-17-13-6-1-2-7-14(13)19/h1-8,10H,9H2,(H2,18,20,21,22)/p+1