[(3R)-4-(2,5-dimethylphenoxy)-3-oxidanyl-butyl]azanium

Systemtic Name: [(3R)-4-(2,5-dimethylphenoxy)-3-oxidanyl-butyl]azanium Openeye Name: [(3R)-4-(2,5-dimethylphenoxy)-3-hydroxy-butyl]ammonium CAS Name: [(3R)-4-(2,5-dimethylphenoxy)-3-hydroxybutyl]ammonium IUPAC Name: [(3R)-4-(2,5-dimethylphenoxy)-3-hydroxybutyl]azanium Traditional Name: [(3R)-4-(2,5-dimethylphenoxy)-3-hydroxy-butyl]ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CC[NH3+])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@@H](CC[NH3+])O

InChI

InChI=1S/C12H19NO2/c1-9-3-4-10(2)12(7-9)15-8-11(14)5-6-13/h3-4,7,11,14H,5-6,8,13H2,1-2H3/p+1/t11-/m1/s1