(3S)-6,7-dimethoxy-3-[(6-methylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-[(6-methylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-[(6-methylpyridin-1-ium-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-[(6-methyl-2-pyridin-1-iumyl)amino]-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-[(6-methylpyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-[(6-methylpyridin-1-ium-2-yl)amino]phthalide Formula: C16H17N2O4+ MolecularWeight: 301.31718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-9-5-4-6-12(17-9)18-15-10-7-8-11(20-2)14(21-3)13(10)16(19)22-15/h4-8,15H,1-3H3,(H,17,18)/p+1/t15-/m0/s1