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

Systemtic Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Openeye Name: [(2Z)-2-[(3-bromophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-2-(3-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=C3)Br)C2=O)O

Isomeric SMILES

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

InChI

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