diethyl-[[4-oxidanyl-7-oxidanylidene-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: diethyl-[[4-oxidanyl-7-oxidanylidene-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: diethyl-[[4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium CAS Name: diethyl-[[4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Traditional Name: diethyl-[[4-hydroxy-7-keto-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium Formula: C21H25F3NO3+ MolecularWeight: 396.42331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=C(O2)C(F)(F)F)C3=CC=CC=C3)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=C(O2)C(F)(F)F)C3=CC=CC=C3)O)CCC1=O

InChI

InChI=1S/C21H24F3NO3/c1-3-25(4-2)12-15-16(26)11-10-14-18(27)17(13-8-6-5-7-9-13)20(21(22,23)24)28-19(14)15/h5-9,15,19,27H,3-4,10-12H2,1-2H3/p+1