4-[[butyl(methyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[butyl(methyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[butyl(methyl)ammonio]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[butyl(methyl)ammonio]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[butyl(methyl)azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[butyl(methyl)ammonio]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCC[NH+](C)CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C3=CC=CC=C3

InChI

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