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

Systemtic Name: [(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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