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

Systemtic Name: butyl-methyl-[[4-oxidanyl-7-oxidanylidene-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: butyl-[[4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: butyl-[[4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: butyl-[[4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: butyl-[[4-hydroxy-7-keto-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C22H27F3NO3+ MolecularWeight: 410.44989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F3NO3/c1-3-4-12-26(2)13-16-17(27)11-10-15-19(28)18(14-8-6-5-7-9-14)21(22(23,24)25)29-20(15)16/h5-9,16,20,28H,3-4,10-13H2,1-2H3/p+1