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

Systemtic Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(C[NH3+])O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC[C@H](C[NH3+])O

InChI

InChI=1S/C13H21NO2/c1-3-10(2)12-6-4-5-7-13(12)16-9-11(15)8-14/h4-7,10-11,15H,3,8-9,14H2,1-2H3/p+1/t10-,11-/m0/s1