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

Systemtic Name: cycloheptyl-[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]azanium Openeye Name: cycloheptyl-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ammonium CAS Name: cycloheptyl-[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ammonium IUPAC Name: cycloheptyl-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]azanium Traditional Name: cycloheptyl-[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]ammonium Formula: C17H24NO4+ MolecularWeight: 306.37676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)[NH2+]C3CCCCCC3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@@H](OC2=O)[NH2+]C3CCCCCC3)OC

InChI

InChI=1S/C17H23NO4/c1-20-13-10-9-12-14(15(13)21-2)17(19)22-16(12)18-11-7-5-3-4-6-8-11/h9-11,16,18H,3-8H2,1-2H3/p+1/t16-/m1/s1