[(1R,2S)-1-(3,5-dimethyl-4-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]azanium

Systemtic Name: [(1R,2S)-1-(3,5-dimethyl-4-oxidanyl-phenyl)-1-oxidanyl-propan-2-yl]azanium Openeye Name: [(1S,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)-1-methyl-ethyl]ammonium CAS Name: [(1R,2S)-1-hydroxy-1-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-hydroxy-1-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]azanium Traditional Name: [(1S,2R)-2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)-1-methyl-ethyl]ammonium Formula: C11H18NO2+ MolecularWeight: 196.26612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(C(C)[NH3+])O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]([C@H](C)[NH3+])O

InChI

InChI=1S/C11H17NO2/c1-6-4-9(11(14)8(3)12)5-7(2)10(6)13/h4-5,8,11,13-14H,12H2,1-3H3/p+1/t8-,11-/m0/s1