2-(3-aminocarbonylpyridin-1-ium-1-yl)butanoic acid

Systemtic Name: 2-(3-aminocarbonylpyridin-1-ium-1-yl)butanoic acid Openeye Name: 2-(3-carbamoylpyridin-1-ium-1-yl)butanoic acid CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)butanoic acid IUPAC Name: 2-(3-carbamoylpyridin-1-ium-1-yl)butanoic acid Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)butyric acid Formula: C10H13N2O3+ MolecularWeight: 209.22182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CCC(C(=O)O)[N+]1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C10H12N2O3/c1-2-8(10(14)15)12-5-3-4-7(6-12)9(11)13/h3-6,8H,2H2,1H3,(H2-,11,13,14,15)/p+1