[3-(1,3-benzodioxol-5-yl)-7-oxidanyl-4-oxidanylidene-6-propan-2-yl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-7-oxidanyl-4-oxidanylidene-6-propan-2-yl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-6-isopropyl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propan-2-yl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propan-2-yl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-7-hydroxy-6-isopropyl-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C23H23F3NO5+ MolecularWeight: 450.42763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O

Isomeric SMILES

CC(C)C1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O

InChI

InChI=1S/C23H22F3NO5/c1-11(2)13-8-14-20(29)18(12-5-6-16-17(7-12)31-10-30-16)22(23(24,25)26)32-21(14)15(19(13)28)9-27(3)4/h5-8,11,28H,9-10H2,1-4H3/p+1