4-[(dimethylazaniumyl)methyl]-3-(phenylcarbonyl)-1-benzofuran-5-olate

Systemtic Name: 4-[(dimethylazaniumyl)methyl]-3-(phenylcarbonyl)-1-benzofuran-5-olate Openeye Name: 3-benzoyl-4-[(dimethylammonio)methyl]benzofuran-5-olate CAS Name: 3-benzoyl-4-[(dimethylammonio)methyl]-5-benzofuranolate IUPAC Name: 3-benzoyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Traditional Name: 3-benzoyl-4-[(dimethylammonio)methyl]benzofuran-5-olate Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H17NO3/c1-19(2)10-13-15(20)8-9-16-17(13)14(11-22-16)18(21)12-6-4-3-5-7-12/h3-9,11,20H,10H2,1-2H3