dimethyl-[[3-naphthalen-1-yl-4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[3-naphthalen-1-yl-4-oxidanyl-7-oxidanylidene-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-3-(1-naphthyl)-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-3-(1-naphthalenyl)-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-3-naphthalen-1-yl-7-oxo-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-3-(1-naphthyl)-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C23H23F3NO3+ MolecularWeight: 418.42883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1C2C(=C(C(=C(O2)C(F)(F)F)C3=CC=CC4=CC=CC=C43)O)CCC1=O

Isomeric SMILES

C[NH+](C)CC1C2C(=C(C(=C(O2)C(F)(F)F)C3=CC=CC4=CC=CC=C43)O)CCC1=O

InChI

InChI=1S/C23H22F3NO3/c1-27(2)12-17-18(28)11-10-16-20(29)19(22(23(24,25)26)30-21(16)17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,17,21,29H,10-12H2,1-2H3/p+1