4-[(dimethylazaniumyl)methyl]-3-thiophen-2-ylcarbonyl-1-benzofuran-5-olate

Systemtic Name: 4-[(dimethylazaniumyl)methyl]-3-thiophen-2-ylcarbonyl-1-benzofuran-5-olate Openeye Name: 4-[(dimethylammonio)methyl]-3-(thiophene-2-carbonyl)benzofuran-5-olate CAS Name: 4-[(dimethylammonio)methyl]-3-[oxo(thiophen-2-yl)methyl]-5-benzofuranolate IUPAC Name: 4-[(dimethylazaniumyl)methyl]-3-(thiophene-2-carbonyl)-1-benzofuran-5-olate Traditional Name: 4-[(dimethylammonio)methyl]-3-(2-thenoyl)benzofuran-5-olate Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CS3)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C16H15NO3S/c1-17(2)8-10-12(18)5-6-13-15(10)11(9-20-13)16(19)14-4-3-7-21-14/h3-7,9,18H,8H2,1-2H3