(2Z)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-7-[[butyl(methyl)ammonio]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[[butyl(methyl)ammonio]methyl]-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-7-[[butyl(methyl)azaniumyl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-7-[[butyl(methyl)ammonio]methyl]-3-keto-coumaran-6-olate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-3-4-12-22(2)14-17-18(23)11-10-16-20(24)19(25-21(16)17)13-15-8-6-5-7-9-15/h5-11,13,23H,3-4,12,14H2,1-2H3/b19-13-