4,7-dimethyl-6-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-5-olate

Systemtic Name: 4,7-dimethyl-6-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-5-olate Openeye Name: 6-[[benzyl(methyl)ammonio]methyl]-4,7-dimethyl-2-oxo-chromen-5-olate CAS Name: 4,7-dimethyl-6-[[methyl-(phenylmethyl)ammonio]methyl]-2-oxo-1-benzopyran-5-olate IUPAC Name: 6-[[benzyl(methyl)azaniumyl]methyl]-4,7-dimethyl-2-oxochromen-5-olate Traditional Name: 6-[[benzyl(methyl)ammonio]methyl]-2-keto-4,7-dimethyl-chromen-5-olate Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1C[NH+](C)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1C[NH+](C)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H21NO3/c1-13-9-17-19(14(2)10-18(22)24-17)20(23)16(13)12-21(3)11-15-7-5-4-6-8-15/h4-10,23H,11-12H2,1-3H3