[3-(3,4-dimethoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium

Systemtic Name: [3-(3,4-dimethoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropylazanium Traditional Name: [3-(3,4-dimethoxyphenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium Formula: C25H29F3NO5+ MolecularWeight: 480.49667

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O

InChI

InChI=1S/C25H28F3NO5/c1-5-11-29(12-6-2)14-17-18(30)9-8-16-22(31)21(24(25(26,27)28)34-23(16)17)15-7-10-19(32-3)20(13-15)33-4/h7-10,13,30H,5-6,11-12,14H2,1-4H3/p+1