[2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-(phenylcarbonyl)-propyl-(trifluoromethyl)azanium

Systemtic Name: [2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-(phenylcarbonyl)-propyl-(trifluoromethyl)azanium Openeye Name: benzoyl-[2-(4-hydroxy-4-oxo-butyl)phenyl]-propyl-(trifluoromethyl)ammonium CAS Name: benzoyl-[2-(4-hydroxy-4-oxobutyl)phenyl]-propyl-(trifluoromethyl)ammonium IUPAC Name: benzoyl-[2-(4-hydroxy-4-oxobutyl)phenyl]-propyl-(trifluoromethyl)azanium Traditional Name: benzoyl-[2-(4-hydroxy-4-keto-butyl)phenyl]-propyl-(trifluoromethyl)ammonium Formula: C21H23F3NO3+ MolecularWeight: 394.40743

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C1=CC=CC=C1CCCC(=O)O)(C(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCC[N+](C1=CC=CC=C1CCCC(=O)O)(C(=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C21H22F3NO3/c1-2-15-25(21(22,23)24,20(28)17-10-4-3-5-11-17)18-13-7-6-9-16(18)12-8-14-19(26)27/h3-7,9-11,13H,2,8,12,14-15H2,1H3/p+1