2-[4-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]piperazin-1-ium-1-yl]acetate Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)N3CC[NH+](CC3)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@@H](OC2=O)N3CC[NH+](CC3)CC(=O)[O-])OC

InChI

InChI=1S/C16H20N2O6/c1-22-11-4-3-10-13(14(11)23-2)16(21)24-15(10)18-7-5-17(6-8-18)9-12(19)20/h3-4,15H,5-9H2,1-2H3,(H,19,20)/t15-/m1/s1