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

Systemtic Name: 8-[[butyl(methyl)azaniumyl]methyl]-2-oxidanylidene-4-phenyl-chromen-7-olate Openeye Name: 8-[[butyl(methyl)ammonio]methyl]-2-oxo-4-phenyl-chromen-7-olate CAS Name: 8-[[butyl(methyl)ammonio]methyl]-2-oxo-4-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[[butyl(methyl)azaniumyl]methyl]-2-oxo-4-phenylchromen-7-olate Traditional Name: 8-[[butyl(methyl)ammonio]methyl]-2-keto-4-phenyl-chromen-7-olate Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)[O-]

InChI

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