[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-oxochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-4-keto-chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O

InChI

InChI=1S/C22H23NO5/c1-4-13-9-15-21(25)17(12-28-22(15)16(20(13)24)11-23(2)3)14-5-6-18-19(10-14)27-8-7-26-18/h5-6,9-10,12,24H,4,7-8,11H2,1-3H3/p+1