3,4,8-trimethyl-6-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3,4,8-trimethyl-6-[[methyl-(phenylmethyl)azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-[[benzyl(methyl)ammonio]methyl]-3,4,8-trimethyl-2-oxo-chromen-7-olate CAS Name: 3,4,8-trimethyl-6-[[methyl-(phenylmethyl)ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-[[benzyl(methyl)azaniumyl]methyl]-3,4,8-trimethyl-2-oxochromen-7-olate Traditional Name: 6-[[benzyl(methyl)ammonio]methyl]-2-keto-3,4,8-trimethyl-chromen-7-olate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+](C)CC3=CC=CC=C3)[O-])C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+](C)CC3=CC=CC=C3)[O-])C)C

InChI

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