[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH2+]C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C[NH2+]C)O

InChI

InChI=1S/C12H19NO2/c1-9-5-4-6-10(2)12(9)15-8-11(14)7-13-3/h4-6,11,13-14H,7-8H2,1-3H3/p+1/t11-/m0/s1