(3S)-3-[(4-methylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(4-methylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(4-methylpyridin-1-ium-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(4-methyl-2-pyridin-1-iumyl)amino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(4-methylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(4-methylpyridin-1-ium-2-yl)amino]phthalide Formula: C14H13N2O2+ MolecularWeight: 241.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C14H12N2O2/c1-9-6-7-15-12(8-9)16-13-10-4-2-3-5-11(10)14(17)18-13/h2-8,13H,1H3,(H,15,16)/p+1/t13-/m0/s1