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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-6-propyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C24H25F3NO5+ MolecularWeight: 464.45421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O

InChI

InChI=1S/C24H24F3NO5/c1-4-5-14-10-15-21(30)19(13-6-7-17-18(11-13)32-9-8-31-17)23(24(25,26)27)33-22(15)16(20(14)29)12-28(2)3/h6-7,10-11,29H,4-5,8-9,12H2,1-3H3/p+1