(3R)-3-[(5-bromanylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[(5-bromanylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[(5-bromopyridin-1-ium-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[(5-bromo-2-pyridin-1-iumyl)amino]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[(5-bromopyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[(5-bromopyridin-1-ium-2-yl)amino]phthalide Formula: C13H10BrN2O2+ MolecularWeight: 306.1347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC3=[NH+]C=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](OC2=O)NC3=[NH+]C=C(C=C3)Br

InChI

InChI=1S/C13H9BrN2O2/c14-8-5-6-11(15-7-8)16-12-9-3-1-2-4-10(9)13(17)18-12/h1-7,12H,(H,15,16)/p+1/t12-/m1/s1