[(2S)-3-(2-tert-butyl-4-ethyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(2-tert-butyl-4-ethyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-ethyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-ethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-ethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-ethyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(C[NH3+])O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OC[C@H](C[NH3+])O)C(C)(C)C

InChI

InChI=1S/C15H25NO2/c1-5-11-6-7-14(18-10-12(17)9-16)13(8-11)15(2,3)4/h6-8,12,17H,5,9-10,16H2,1-4H3/p+1/t12-/m0/s1