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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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