[(2R)-2-oxidanyl-3-(4-propan-2-yloxyphenyl)sulfanyl-propyl]azanium

Systemtic Name: [(2R)-2-oxidanyl-3-(4-propan-2-yloxyphenyl)sulfanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(4-isopropoxyphenyl)sulfanyl-propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-[(4-propan-2-yloxyphenyl)thio]propyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(4-propan-2-yloxyphenyl)sulfanylpropyl]azanium Traditional Name: [(2R)-2-hydroxy-3-[(4-isopropoxyphenyl)thio]propyl]ammonium Formula: C12H20NO2S+ MolecularWeight: 242.3577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)SCC(C[NH3+])O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)SC[C@@H](C[NH3+])O

InChI

InChI=1S/C12H19NO2S/c1-9(2)15-11-3-5-12(6-4-11)16-8-10(14)7-13/h3-6,9-10,14H,7-8,13H2,1-2H3/p+1/t10-/m1/s1