[(2S)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C11H18NO2+ MolecularWeight: 196.26612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO2/c1-8-3-4-9(2)11(5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/p+1/t10-/m0/s1