tert-butyl-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-11-6-7-14(8-12(11)2)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3/p+1/t13-/m0/s1