[(1S)-1-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]ethyl]azanium Openeye Name: [(1S)-1-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ethyl]ammonium CAS Name: [(1S)-1-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]ethyl]azanium Traditional Name: [(1S)-1-[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]ethyl]ammonium Formula: C12H16NO4+ MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2=C(C(=C(C=C2)OC)OC)C(=O)O1)[NH3+]

Isomeric SMILES

C[C@@H]([C@H]1C2=C(C(=C(C=C2)OC)OC)C(=O)O1)[NH3+]

InChI

InChI=1S/C12H15NO4/c1-6(13)10-7-4-5-8(15-2)11(16-3)9(7)12(14)17-10/h4-6,10H,13H2,1-3H3/p+1/t6-,10-/m0/s1