[(2S)-butan-2-yl]-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[(1S)-1-methylpropyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(COC1=CC=CC=C1C(C)C)O

Isomeric SMILES

CC[C@H](C)[NH2+]C[C@H](COC1=CC=CC=C1C(C)C)O

InChI

InChI=1S/C16H27NO2/c1-5-13(4)17-10-14(18)11-19-16-9-7-6-8-15(16)12(2)3/h6-9,12-14,17-18H,5,10-11H2,1-4H3/p+1/t13-,14+/m0/s1