1-[7-(2-methoxy-2-oxidanylidene-ethyl)-1-benzofuran-2-yl]-2-(trimethylazaniumyl)ethanolate

Systemtic Name: 1-[7-(2-methoxy-2-oxidanylidene-ethyl)-1-benzofuran-2-yl]-2-(trimethylazaniumyl)ethanolate Openeye Name: 1-[7-(2-methoxy-2-oxo-ethyl)benzofuran-2-yl]-2-(trimethylammonio)ethanolate CAS Name: 1-[7-(2-methoxy-2-oxoethyl)-2-benzofuranyl]-2-(trimethylammonio)ethanolate IUPAC Name: 1-[7-(2-methoxy-2-oxoethyl)-1-benzofuran-2-yl]-2-(trimethylazaniumyl)ethanolate Traditional Name: 1-[7-(2-keto-2-methoxy-ethyl)benzofuran-2-yl]-2-(trimethylammonio)ethanolate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C1=CC2=C(O1)C(=CC=C2)CC(=O)OC)[O-]

Isomeric SMILES

C[N+](C)(C)CC(C1=CC2=C(O1)C(=CC=C2)CC(=O)OC)[O-]

InChI

InChI=1S/C16H21NO4/c1-17(2,3)10-13(18)14-8-11-6-5-7-12(16(11)21-14)9-15(19)20-4/h5-8,13H,9-10H2,1-4H3