[(2S)-butan-2-yl]-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21FNO2+ MolecularWeight: 242.309743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(COC1=CC=CC=C1F)O

Isomeric SMILES

CC[C@H](C)[NH2+]C[C@@H](COC1=CC=CC=C1F)O

InChI

InChI=1S/C13H20FNO2/c1-3-10(2)15-8-11(16)9-17-13-7-5-4-6-12(13)14/h4-7,10-11,15-16H,3,8-9H2,1-2H3/p+1/t10-,11-/m0/s1