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

Systemtic Name: [4-oxidanyl-7-oxidanylidene-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dipropyl-azanium Openeye Name: [4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dipropyl-ammonium CAS Name: [4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [4-hydroxy-7-oxo-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dipropylazanium Traditional Name: [4-hydroxy-7-keto-3-phenyl-2-(trifluoromethyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dipropyl-ammonium Formula: C23H29F3NO3+ MolecularWeight: 424.47647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3NO3/c1-3-12-27(13-4-2)14-17-18(28)11-10-16-20(29)19(15-8-6-5-7-9-15)22(23(24,25)26)30-21(16)17/h5-9,17,21,29H,3-4,10-14H2,1-2H3/p+1