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

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

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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)OCO4)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)OCO4)C[NH+](C)C)O

InChI

InChI=1S/C23H22F3NO5/c1-4-5-13-8-14-20(29)18(12-6-7-16-17(9-12)31-11-30-16)22(23(24,25)26)32-21(14)15(19(13)28)10-27(2)3/h6-9,28H,4-5,10-11H2,1-3H3/p+1