[3-(5-bromanylthiophen-2-yl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(5-bromanylthiophen-2-yl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium Openeye Name: [3-(5-bromothiophene-2-carbonyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium CAS Name: [3-[(5-bromo-2-thiophenyl)-oxomethyl]-5-hydroxy-4-benzofuranyl]methyl-dimethylammonium IUPAC Name: [3-(5-bromothiophene-2-carbonyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium Traditional Name: [3-(5-bromothiophene-2-carbonyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium Formula: C16H15BrNO3S+ MolecularWeight: 381.2642

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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/p+1