2-(3,5-dimethylphenoxy)ethyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 2-(3,5-dimethylphenoxy)ethyl-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 2-(3,5-dimethylphenoxy)ethyl-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: 2-(3,5-dimethylphenoxy)ethyl-[(7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+](C)CC2=CC(=O)OC3=C2C=CC(=C3)O)C

InChI

InChI=1S/C21H23NO4/c1-14-8-15(2)10-18(9-14)25-7-6-22(3)13-16-11-21(24)26-20-12-17(23)4-5-19(16)20/h4-5,8-12,23H,6-7,13H2,1-3H3/p+1