1-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethanone

Systemtic Name: 1-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethanone Openeye Name: 1-(7-methoxyspiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)-2-(1-oxidopyridin-1-ium-4-yl)ethanone CAS Name: 1-(7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)-2-(1-oxido-4-pyridin-1-iumyl)ethanone IUPAC Name: 1-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-2-(1-oxidopyridin-1-ium-4-yl)ethanone Traditional Name: 1-(7-methoxyspiro[coumaran-2,1'-cyclopentane]-4-yl)-2-(1-oxidopyridin-1-ium-4-yl)ethanone Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(=O)CC3=CC=[N+](C=C3)[O-])CC4(O2)CCCC4

Isomeric SMILES

COC1=C2C(=C(C=C1)C(=O)CC3=CC=[N+](C=C3)[O-])CC4(O2)CCCC4

InChI

InChI=1S/C20H21NO4/c1-24-18-5-4-15(17(22)12-14-6-10-21(23)11-7-14)16-13-20(25-19(16)18)8-2-3-9-20/h4-7,10-11H,2-3,8-9,12-13H2,1H3