[(2Z)-2-[(2-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium

Systemtic Name: [(2Z)-2-[(2-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Openeye Name: [(2Z)-2-[(2-bromophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-2-[(2-bromophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-2-(2-bromobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C22H25BrNO5+ MolecularWeight: 463.3416

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3Br)C2=O)O

Isomeric SMILES

COCC[NH+](CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3Br)/C2=O)O

InChI

InChI=1S/C22H24BrNO5/c1-27-11-9-24(10-12-28-2)14-17-19(25)8-7-16-21(26)20(29-22(16)17)13-15-5-3-4-6-18(15)23/h3-8,13,25H,9-12,14H2,1-2H3/p+1/b20-13-