[(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-[(4-hydroxy-2,6-dimethyl-phenyl)methyl]-2-methoxy-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-(4-hydroxy-2,6-dimethyl-benzyl)-2-keto-2-methoxy-ethyl]ammonium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)OC)[NH3+])C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)OC)[NH3+])C)O

InChI

InChI=1S/C12H17NO3/c1-7-4-9(14)5-8(2)10(7)6-11(13)12(15)16-3/h4-5,11,14H,6,13H2,1-3H3/p+1/t11-/m0/s1