(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-[4-(trifluoromethyl)phenyl]ethyl]ammonium Formula: C21H21F3NO3+ MolecularWeight: 392.39155

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCC3=CC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCC3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C21H20F3NO3/c1-2-14-9-17-15(10-20(27)28-19(17)11-18(14)26)12-25-8-7-13-3-5-16(6-4-13)21(22,23)24/h3-6,9-11,25-26H,2,7-8,12H2,1H3/p+1