[(2S)-3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxy-propyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-16(2,3)12-7-8-15(20-11-13(19)10-18)14(9-12)17(4,5)6/h7-9,13,19H,10-11,18H2,1-6H3/p+1/t13-/m0/s1