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

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-2-benzylidene-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(phenylmethylene)-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-2-benzylidene-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-2-benzal-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3)C2=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-26-12-10-23(11-13-27-2)15-18-19(24)9-8-17-21(25)20(28-22(17)18)14-16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3/p+1/b20-14-