[(2R)-2-oxidanyl-3-(2,4,6-trimethylphenyl)sulfanyl-propyl]azanium

Systemtic Name: [(2R)-2-oxidanyl-3-(2,4,6-trimethylphenyl)sulfanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(2,4,6-trimethylphenyl)sulfanyl-propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-[(2,4,6-trimethylphenyl)thio]propyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(2,4,6-trimethylphenyl)sulfanylpropyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(mesitylthio)propyl]ammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NOS/c1-8-4-9(2)12(10(3)5-8)15-7-11(14)6-13/h4-5,11,14H,6-7,13H2,1-3H3/p+1/t11-/m1/s1