4-[(4S,5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]butylazanium

Systemtic Name: 4-[(4S,5S)-5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]butylazanium Openeye Name: 4-[(4S,5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-isoxazol-4-yl]butylammonium CAS Name: 4-[(4S,5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-isoxazol-4-yl]butylammonium IUPAC Name: 4-[(4S,5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]butylazanium Traditional Name: 4-[(4S,5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-isoxazolin-4-yl]butylammonium Formula: C14H18F3N2O2+ MolecularWeight: 303.30013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(C2CCCC[NH3+])(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NO[C@@]([C@H]2CCCC[NH3+])(C(F)(F)F)O

InChI

InChI=1S/C14H17F3N2O2/c15-14(16,17)13(20)11(8-4-5-9-18)12(19-21-13)10-6-2-1-3-7-10/h1-3,6-7,11,20H,4-5,8-9,18H2/p+1/t11-,13-/m0/s1