3-(5-bromanylthiophen-2-yl)carbonyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate

Systemtic Name: 3-(5-bromanylthiophen-2-yl)carbonyl-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Openeye Name: 3-(5-bromothiophene-2-carbonyl)-4-[(dimethylammonio)methyl]benzofuran-5-olate CAS Name: 3-[(5-bromo-2-thiophenyl)-oxomethyl]-4-[(dimethylammonio)methyl]-5-benzofuranolate IUPAC Name: 3-(5-bromothiophene-2-carbonyl)-4-[(dimethylazaniumyl)methyl]-1-benzofuran-5-olate Traditional Name: 3-(5-bromothiophene-2-carbonyl)-4-[(dimethylammonio)methyl]benzofuran-5-olate Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(S3)Br)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=C(S3)Br)[O-]

InChI

InChI=1S/C16H14BrNO3S/c1-18(2)7-9-11(19)3-4-12-15(9)10(8-21-12)16(20)13-5-6-14(17)22-13/h3-6,8,19H,7H2,1-2H3