tert-butyl-[(2S)-2-[4-(3-fluoranylphenoxy)phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[4-(3-fluoranylphenoxy)phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-[4-(3-fluorophenoxy)phenyl]-2-hydroxy-ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-[4-(3-fluorophenoxy)phenyl]-2-hydroxyethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-[4-(3-fluorophenoxy)phenyl]-2-hydroxyethyl]azanium Traditional Name: tert-butyl-[(2S)-2-[4-(3-fluorophenoxy)phenyl]-2-hydroxy-ethyl]ammonium Formula: C18H23FNO2+ MolecularWeight: 304.379123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(C1=CC=C(C=C1)OC2=CC(=CC=C2)F)O

Isomeric SMILES

CC(C)(C)[NH2+]C[C@H](C1=CC=C(C=C1)OC2=CC(=CC=C2)F)O

InChI

InChI=1S/C18H22FNO2/c1-18(2,3)20-12-17(21)13-7-9-15(10-8-13)22-16-6-4-5-14(19)11-16/h4-11,17,20-21H,12H2,1-3H3/p+1/t17-/m1/s1