[3-(1,3-benzodioxol-5-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propyl-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propylchromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-keto-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O

InChI

InChI=1S/C22H23NO5/c1-4-5-14-8-15-21(25)17(13-6-7-18-19(9-13)28-12-27-18)11-26-22(15)16(20(14)24)10-23(2)3/h6-9,11,24H,4-5,10,12H2,1-3H3/p+1