4-methyl-2-oxidanylidene-8-[[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)azaniumyl]methyl]chromen-7-olate

Systemtic Name: 4-methyl-2-oxidanylidene-8-[[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)azaniumyl]methyl]chromen-7-olate Openeye Name: 8-[[(1-benzyl-2-hydroxy-2-oxo-ethyl)ammonio]methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)ammonio]methyl]-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)azaniumyl]methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 8-[[(1-benzyl-2-hydroxy-2-keto-ethyl)ammonio]methyl]-2-keto-4-methyl-chromen-7-olate Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)O)[O-]

InChI

InChI=1S/C20H19NO5/c1-12-9-18(23)26-19-14(12)7-8-17(22)15(19)11-21-16(20(24)25)10-13-5-3-2-4-6-13/h2-9,16,21-22H,10-11H2,1H3,(H,24,25)