dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-3-(4-propoxycarbonylphenoxy)chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H24NO6+ MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)C)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+](C)C)O

InChI

InChI=1S/C22H23NO6/c1-4-11-27-22(26)14-5-7-15(8-6-14)29-19-13-28-21-16(20(19)25)9-10-18(24)17(21)12-23(2)3/h5-10,13,24H,4,11-12H2,1-3H3/p+1