(3S)-3-piperidin-1-ium-1-yl-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-piperidin-1-ium-1-yl-3H-2-benzofuran-1-one Openeye Name: (3S)-3-piperidin-1-ium-1-yl-3H-isobenzofuran-1-one CAS Name: (3S)-3-(1-piperidin-1-iumyl)-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-piperidin-1-ium-1-yl-3H-2-benzofuran-1-one Traditional Name: (3S)-3-piperidin-1-ium-1-ylphthalide Formula: C13H16NO2+ MolecularWeight: 218.27164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C13H15NO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12H,1,4-5,8-9H2/p+1/t12-/m0/s1