(3R)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]phthalide Formula: C17H17N2O4+ MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CO4

InChI

InChI=1S/C17H16N2O4/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/h1-6,11,16H,7-10H2/p+1/t16-/m1/s1