(3R)-3-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[4-[(2S)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[4-[oxo-[(2S)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[4-[(2S)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]phthalide Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C[C@H](OC1)C(=O)N2CC[NH+](CC2)[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C17H20N2O4/c20-15(14-6-3-11-22-14)18-7-9-19(10-8-18)16-12-4-1-2-5-13(12)17(21)23-16/h1-2,4-5,14,16H,3,6-11H2/p+1/t14-,16+/m0/s1