(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3H-isobenzofuran-1-one CAS Name: (3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)phthalide Formula: C17H16NO2+ MolecularWeight: 266.31444

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C17H15NO2/c19-17-15-8-4-3-7-14(15)16(20-17)18-10-9-12-5-1-2-6-13(12)11-18/h1-8,16H,9-11H2/p+1/t16-/m0/s1