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

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-2-[(2-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-2-(o-tolylmethylene)-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-2-[(2-methylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(2-methylbenzylidene)coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CCOC)CCOC

Isomeric SMILES

CC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CCOC)CCOC

InChI

InChI=1S/C23H27NO5/c1-16-6-4-5-7-17(16)14-21-22(26)18-8-9-20(25)19(23(18)29-21)15-24(10-12-27-2)11-13-28-3/h4-9,14,25H,10-13,15H2,1-3H3/p+1/b21-14-