(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C21H21F3NO2+ MolecularWeight: 376.39215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C21H20F3NO2/c1-13-4-9-18-16(10-19(26)27-20(18)14(13)2)12-25(3)11-15-5-7-17(8-6-15)21(22,23)24/h4-10H,11-12H2,1-3H3/p+1