bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-2-(4-isopropylbenzylidene)-3-keto-coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C25H32NO5+ MolecularWeight: 426.52528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CCOC)CCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CCOC)CCOC

InChI

InChI=1S/C25H31NO5/c1-17(2)19-7-5-18(6-8-19)15-23-24(28)20-9-10-22(27)21(25(20)31-23)16-26(11-13-29-3)12-14-30-4/h5-10,15,17,27H,11-14,16H2,1-4H3/p+1/b23-15-