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

Systemtic Name: 3-(4-chlorophenyl)carbonyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Openeye Name: 3-(4-chlorobenzoyl)-4-[(dimethylammonio)methyl]benzofuran-5-olate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-4-[(dimethylammonio)methyl]-5-benzofuranolate IUPAC Name: 3-(4-chlorobenzoyl)-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Traditional Name: 3-(4-chlorobenzoyl)-4-[(dimethylammonio)methyl]benzofuran-5-olate Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO3/c1-20(2)9-13-15(21)7-8-16-17(13)14(10-23-16)18(22)11-3-5-12(19)6-4-11/h3-8,10,21H,9H2,1-2H3